1-chloro-2,3-di(propan-2-yl)benzene;1,4-difluoro-2,3-di(propan-2-yl)benzene;1,2-di(propan-2-yl)benzene;2,3-di(propan-2-yl)phenol;1-[3,4-di(propan-2-yl)phenyl]but-3-en-2-one;2,3-di(propan-2-yl)pyridine;bis(3,4-di(propan-2-yl)pyridine);2,3-di(propan-2-yl)-6-(trifluoromethyl)pyridine;bis(1-fluoro-2,3-di(propan-2-yl)benzene);2-fluoro-3,4-di(propan-2-yl)pyridine;2-fluoro-4,5-di(propan-2-yl)pyridine;3-fluoro-4,5-di(propan-2-yl)pyridine;6-fluoro-2,3-di(propan-2-yl)pyridine;1-fluoro-4-methoxy-2,3-di(propan-2-yl)benzene;1-methoxy-2,3-di(propan-2-yl)benzene;4-methoxy-1,2-di(propan-2-yl)benzene;2-methoxy-4,5-di(propan-2-yl)pyridine;6-methoxy-2,3-di(propan-2-yl)pyridine;2-methyl-4,5-di(propan-2-yl)pyridine;6-methyl-2,3-di(propan-2-yl)pyridine;1-propan-2-yl-6-propan-2-ylidenecyclohexa-1,4-diene

C276H409ClF12N12O7 — CID 160604031

IUPAC1-chloro-2,3-di(propan-2-yl)benzene;1,4-difluoro-2,3-di(propan-2-yl)benzene;1,2-di(propan-2-yl)benzene;2,3-di(propan-2-yl)phenol;1-[3,4-di(propan-2-yl)phenyl]but-3-en-2-one;2,3-di(propan-2-yl)pyridine;bis(3,4-di(propan-2-yl)pyridine);2,3-di(propan-2-yl)-6-(trifluoromethyl)pyridine;bis(1-fluoro-2,3-di(propan-2-yl)benzene);2-fluoro-3,4-di(propan-2-yl)pyridine;2-fluoro-4,5-di(propan-2-yl)pyridine;3-fluoro-4,5-di(propan-2-yl)pyridine;6-fluoro-2,3-di(propan-2-yl)pyridine;1-fluoro-4-methoxy-2,3-di(propan-2-yl)benzene;1-methoxy-2,3-di(propan-2-yl)benzene;4-methoxy-1,2-di(propan-2-yl)benzene;2-methoxy-4,5-di(propan-2-yl)pyridine;6-methoxy-2,3-di(propan-2-yl)pyridine;2-methyl-4,5-di(propan-2-yl)pyridine;6-methyl-2,3-di(propan-2-yl)pyridine;1-propan-2-yl-6-propan-2-ylidenecyclohexa-1,4-diene
SMILESC=CC(=O)Cc1ccc(C(C)C)c(C(C)C)c1.CC(C)=C1C=CCC=C1C(C)C.CC(C)c1c(F)ccc(F)c1C(C)C.CC(C)c1ccc(C(F)(F)F)nc1C(C)C.CC(C)c1ccc(F)nc1C(C)C.CC(C)c1cccc(Cl)c1C(C)C.CC(C)c1cccc(F)c1C(C)C.CC(C)c1cccc(F)c1C(C)C.CC(C)c1cccc(O)c1C(C)C.CC(C)c1ccccc1C(C)C.CC(C)c1cccnc1C(C)C.CC(C)c1ccnc(F)c1C(C)C.CC(C)c1ccncc1C(C)C.CC(C)c1ccncc1C(C)C.CC(C)c1cnc(F)cc1C(C)C.CC(C)c1cncc(F)c1C(C)C.COc1cc(C(C)C)c(C(C)C)cn1.COc1ccc(C(C)C)c(C(C)C)c1.COc1ccc(C(C)C)c(C(C)C)n1.COc1ccc(F)c(C(C)C)c1C(C)C.COc1cccc(C(C)C)c1C(C)C.Cc1cc(C(C)C)c(C(C)C)cn1.Cc1ccc(C(C)C)c(C(C)C)n1
InChIInChI=1S/C16H22O.C13H19FO.2C13H20O.C12H17Cl.C12H16F3N.C12H16F2.2C12H17F.2C12H19NO.2C12H19N.C12H18O.2C12H18.4C11H16FN.3C11H17N/c1-6-14(17)9-13-7-8-15(11(2)3)16(10-13)12(4)5;1-8(2)12-10(14)6-7-11(15-5)13(12)9(3)4;1-9(2)12-7-6-11(14-5)8-13(12)10(3)4;1-9(2)11-7-6-8-12(14-5)13(11)10(3)4;1-8(2)10-6-5-7-11(13)12(10)9(3)4;1-7(2)9-5-6-10(12(13,14)15)16-11(9)8(3)4;1-7(2)11-9(13)5-6-10(14)12(11)8(3)4;2*1-8(2)10-6-5-7-11(13)12(10)9(3)4;1-8(2)10-6-12(14-5)13-7-11(10)9(3)4;1-8(2)10-6-7-11(14-5)13-12(10)9(3)4;1-8(2)11-6-10(5)13-7-12(11)9(3)4;1-8(2)11-7-6-10(5)13-12(11)9(3)4;1-8(2)10-6-5-7-11(13)12(10)9(3)4;2*1-9(2)11-7-5-6-8-12(11)10(3)4;1-7(2)9-5-13-6-10(12)11(9)8(3)4;1-7(2)9-5-11(12)13-6-10(9)8(3)4;1-7(2)9-5-6-13-11(12)10(9)8(3)4;1-7(2)9-5-6-10(12)13-11(9)8(3)4;2*1-8(2)10-5-6-12-7-11(10)9(3)4;1-8(2)10-6-5-7-12-11(10)9(3)4/h6-8,10-12H,1,9H2,2-5H3;6-9H,1-5H3;2*6-10H,1-5H3;5-9H,1-4H3;5-8H,1-4H3;5-8H,1-4H3;2*5-9H,1-4H3;2*6-9H,1-5H3;2*6-9H,1-5H3;5-9,13H,1-4H3;5,7-8,10H,6H2,1-4H3;5-10H,1-4H3;4*5-8H,1-4H3;3*5-9H,1-4H3
InChIKeyREQJUHAOROHEAL-UHFFFAOYSA-N
MW4270.81 g/mol
LogP86.73
Rot. Bonds53

About 1-chloro-2,3-di(propan-2-yl)benzene;1,4-difluoro-2,3-di(propan-2-yl)benzene;1,2-di(propan-2-yl)benzene;2,3-di(propan-2-yl)phenol;1-[3,4-di(propan-2-yl)phenyl]but-3-en-2-one;2,3-di(propan-2-yl)pyridine;bis(3,4-di(propan-2-yl)pyridine);2,3-di(propan-2-yl)-6-(trifluoromethyl)pyridine;bis(1-fluoro-2,3-di(propan-2-yl)benzene);2-fluoro-3,4-di(propan-2-yl)pyridine;2-fluoro-4,5-di(propan-2-yl)pyridine;3-fluoro-4,5-di(propan-2-yl)pyridine;6-fluoro-2,3-di(propan-2-yl)pyridine;1-fluoro-4-methoxy-2,3-di(propan-2-yl)benzene;1-methoxy-2,3-di(propan-2-yl)benzene;4-methoxy-1,2-di(propan-2-yl)benzene;2-methoxy-4,5-di(propan-2-yl)pyridine;6-methoxy-2,3-di(propan-2-yl)pyridine;2-methyl-4,5-di(propan-2-yl)pyridine;6-methyl-2,3-di(propan-2-yl)pyridine;1-propan-2-yl-6-propan-2-ylidenecyclohexa-1,4-diene

1-chloro-2,3-di(propan-2-yl)benzene;1,4-difluoro-2,3-di(propan-2-yl)benzene;1,2-di(propan-2-yl)benzene;2,3-di(propan-2-yl)phenol;1-[3,4-di(propan-2-yl)phenyl]but-3-en-2-one;2,3-di(propan-2-yl)pyridine;bis(3,4-di(propan-2-yl)pyridine);2,3-di(propan-2-yl)-6-(trifluoromethyl)pyridine;bis(1-fluoro-2,3-di(propan-2-yl)benzene);2-fluoro-3,4-di(propan-2-yl)pyridine;2-fluoro-4,5-di(propan-2-yl)pyridine;3-fluoro-4,5-di(propan-2-yl)pyridine;6-fluoro-2,3-di(propan-2-yl)pyridine;1-fluoro-4-methoxy-2,3-di(propan-2-yl)benzene;1-methoxy-2,3-di(propan-2-yl)benzene;4-methoxy-1,2-di(propan-2-yl)benzene;2-methoxy-4,5-di(propan-2-yl)pyridine;6-methoxy-2,3-di(propan-2-yl)pyridine;2-methyl-4,5-di(propan-2-yl)pyridine;6-methyl-2,3-di(propan-2-yl)pyridine;1-propan-2-yl-6-propan-2-ylidenecyclohexa-1,4-diene (PubChem CID 160604031) has the molecular formula C276H409ClF12N12O7 and a molecular weight of 4270.81 g/mol. Its IUPAC name is 1-chloro-2,3-di(propan-2-yl)benzene;1,4-difluoro-2,3-di(propan-2-yl)benzene;1,2-di(propan-2-yl)benzene;2,3-di(propan-2-yl)phenol;1-[3,4-di(propan-2-yl)phenyl]but-3-en-2-one;2,3-di(propan-2-yl)pyridine;bis(3,4-di(propan-2-yl)pyridine);2,3-di(propan-2-yl)-6-(trifluoromethyl)pyridine;bis(1-fluoro-2,3-di(propan-2-yl)benzene);2-fluoro-3,4-di(propan-2-yl)pyridine;2-fluoro-4,5-di(propan-2-yl)pyridine;3-fluoro-4,5-di(propan-2-yl)pyridine;6-fluoro-2,3-di(propan-2-yl)pyridine;1-fluoro-4-methoxy-2,3-di(propan-2-yl)benzene;1-methoxy-2,3-di(propan-2-yl)benzene;4-methoxy-1,2-di(propan-2-yl)benzene;2-methoxy-4,5-di(propan-2-yl)pyridine;6-methoxy-2,3-di(propan-2-yl)pyridine;2-methyl-4,5-di(propan-2-yl)pyridine;6-methyl-2,3-di(propan-2-yl)pyridine;1-propan-2-yl-6-propan-2-ylidenecyclohexa-1,4-diene.

Molecular Properties

Compound Name1-chloro-2,3-di(propan-2-yl)benzene;1,4-difluoro-2,3-di(propan-2-yl)benzene;1,2-di(propan-2-yl)benzene;2,3-di(propan-2-yl)phenol;1-[3,4-di(propan-2-yl)phenyl]but-3-en-2-one;2,3-di(propan-2-yl)pyridine;bis(3,4-di(propan-2-yl)pyridine);2,3-di(propan-2-yl)-6-(trifluoromethyl)pyridine;bis(1-fluoro-2,3-di(propan-2-yl)benzene);2-fluoro-3,4-di(propan-2-yl)pyridine;2-fluoro-4,5-di(propan-2-yl)pyridine;3-fluoro-4,5-di(propan-2-yl)pyridine;6-fluoro-2,3-di(propan-2-yl)pyridine;1-fluoro-4-methoxy-2,3-di(propan-2-yl)benzene;1-methoxy-2,3-di(propan-2-yl)benzene;4-methoxy-1,2-di(propan-2-yl)benzene;2-methoxy-4,5-di(propan-2-yl)pyridine;6-methoxy-2,3-di(propan-2-yl)pyridine;2-methyl-4,5-di(propan-2-yl)pyridine;6-methyl-2,3-di(propan-2-yl)pyridine;1-propan-2-yl-6-propan-2-ylidenecyclohexa-1,4-diene
PubChem CID160604031
Molecular FormulaC276H409ClF12N12O7
Molecular Weight4270.81 g/mol
Exact Mass4267.15
IUPAC Name1-chloro-2,3-di(propan-2-yl)benzene;1,4-difluoro-2,3-di(propan-2-yl)benzene;1,2-di(propan-2-yl)benzene;2,3-di(propan-2-yl)phenol;1-[3,4-di(propan-2-yl)phenyl]but-3-en-2-one;2,3-di(propan-2-yl)pyridine;bis(3,4-di(propan-2-yl)pyridine);2,3-di(propan-2-yl)-6-(trifluoromethyl)pyridine;bis(1-fluoro-2,3-di(propan-2-yl)benzene);2-fluoro-3,4-di(propan-2-yl)pyridine;2-fluoro-4,5-di(propan-2-yl)pyridine;3-fluoro-4,5-di(propan-2-yl)pyridine;6-fluoro-2,3-di(propan-2-yl)pyridine;1-fluoro-4-methoxy-2,3-di(propan-2-yl)benzene;1-methoxy-2,3-di(propan-2-yl)benzene;4-methoxy-1,2-di(propan-2-yl)benzene;2-methoxy-4,5-di(propan-2-yl)pyridine;6-methoxy-2,3-di(propan-2-yl)pyridine;2-methyl-4,5-di(propan-2-yl)pyridine;6-methyl-2,3-di(propan-2-yl)pyridine;1-propan-2-yl-6-propan-2-ylidenecyclohexa-1,4-diene
SMILESC=CC(=O)Cc1ccc(C(C)C)c(C(C)C)c1.CC(C)=C1C=CCC=C1C(C)C.CC(C)c1c(F)ccc(F)c1C(C)C.CC(C)c1ccc(C(F)(F)F)nc1C(C)C.CC(C)c1ccc(F)nc1C(C)C.CC(C)c1cccc(Cl)c1C(C)C.CC(C)c1cccc(F)c1C(C)C.CC(C)c1cccc(F)c1C(C)C.CC(C)c1cccc(O)c1C(C)C.CC(C)c1ccccc1C(C)C.CC(C)c1cccnc1C(C)C.CC(C)c1ccnc(F)c1C(C)C.CC(C)c1ccncc1C(C)C.CC(C)c1ccncc1C(C)C.CC(C)c1cnc(F)cc1C(C)C.CC(C)c1cncc(F)c1C(C)C.COc1cc(C(C)C)c(C(C)C)cn1.COc1ccc(C(C)C)c(C(C)C)c1.COc1ccc(C(C)C)c(C(C)C)n1.COc1ccc(F)c(C(C)C)c1C(C)C.COc1cccc(C(C)C)c1C(C)C.Cc1cc(C(C)C)c(C(C)C)cn1.Cc1ccc(C(C)C)c(C(C)C)n1
InChIInChI=1S/C16H22O.C13H19FO.2C13H20O.C12H17Cl.C12H16F3N.C12H16F2.2C12H17F.2C12H19NO.2C12H19N.C12H18O.2C12H18.4C11H16FN.3C11H17N/c1-6-14(17)9-13-7-8-15(11(2)3)16(10-13)12(4)5;1-8(2)12-10(14)6-7-11(15-5)13(12)9(3)4;1-9(2)12-7-6-11(14-5)8-13(12)10(3)4;1-9(2)11-7-6-8-12(14-5)13(11)10(3)4;1-8(2)10-6-5-7-11(13)12(10)9(3)4;1-7(2)9-5-6-10(12(13,14)15)16-11(9)8(3)4;1-7(2)11-9(13)5-6-10(14)12(11)8(3)4;2*1-8(2)10-6-5-7-11(13)12(10)9(3)4;1-8(2)10-6-12(14-5)13-7-11(10)9(3)4;1-8(2)10-6-7-11(14-5)13-12(10)9(3)4;1-8(2)11-6-10(5)13-7-12(11)9(3)4;1-8(2)11-7-6-10(5)13-12(11)9(3)4;1-8(2)10-6-5-7-11(13)12(10)9(3)4;2*1-9(2)11-7-5-6-8-12(11)10(3)4;1-7(2)9-5-13-6-10(12)11(9)8(3)4;1-7(2)9-5-11(12)13-6-10(9)8(3)4;1-7(2)9-5-6-13-11(12)10(9)8(3)4;1-7(2)9-5-6-10(12)13-11(9)8(3)4;2*1-8(2)10-5-6-12-7-11(10)9(3)4;1-8(2)10-6-5-7-12-11(10)9(3)4/h6-8,10-12H,1,9H2,2-5H3;6-9H,1-5H3;2*6-10H,1-5H3;5-9H,1-4H3;5-8H,1-4H3;5-8H,1-4H3;2*5-9H,1-4H3;2*6-9H,1-5H3;2*6-9H,1-5H3;5-9,13H,1-4H3;5,7-8,10H,6H2,1-4H3;5-10H,1-4H3;4*5-8H,1-4H3;3*5-9H,1-4H3
InChIKeyREQJUHAOROHEAL-UHFFFAOYSA-N
XLogP86.73
TPSA238.13 Ų
H-Bond Donors1
H-Bond Acceptors19
Rotatable Bonds53
Heavy Atoms308
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004270.81
LogP ≤ 586.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1019

Analyze 1-chloro-2,3-di(propan-2-yl)benzene;1,4-difluoro-2,3-di(propan-2-yl)benzene;1,2-di(propan-2-yl)benzene;2,3-di(propan-2-yl)phenol;1-[3,4-di(propan-2-yl)phenyl]but-3-en-2-one;2,3-di(propan-2-yl)pyridine;bis(3,4-di(propan-2-yl)pyridine);2,3-di(propan-2-yl)-6-(trifluoromethyl)pyridine;bis(1-fluoro-2,3-di(propan-2-yl)benzene);2-fluoro-3,4-di(propan-2-yl)pyridine;2-fluoro-4,5-di(propan-2-yl)pyridine;3-fluoro-4,5-di(propan-2-yl)pyridine;6-fluoro-2,3-di(propan-2-yl)pyridine;1-fluoro-4-methoxy-2,3-di(propan-2-yl)benzene;1-methoxy-2,3-di(propan-2-yl)benzene;4-methoxy-1,2-di(propan-2-yl)benzene;2-methoxy-4,5-di(propan-2-yl)pyridine;6-methoxy-2,3-di(propan-2-yl)pyridine;2-methyl-4,5-di(propan-2-yl)pyridine;6-methyl-2,3-di(propan-2-yl)pyridine;1-propan-2-yl-6-propan-2-ylidenecyclohexa-1,4-diene with MolForge

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Related Compounds

N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4-methyl-3-(trifluoromethyl)benzamide;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(2,2,3,3-tetrafluoropropoxy)phenyl]-2-phenylethyl]-4-methyl-3-(trifluoromethyl)benzamide;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[2-methoxy-5-(trifluoromethyl)phenyl]-2-phenylethyl]-3-(1,1-difluoroethyl)-4-fluorobenzamide;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[2-methyl-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide
CID 123665839
3-[2-[7-(2-chlorophenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(6-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(7-fluoro-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[7-(3-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(6-methoxy-5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(6-methoxy-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[6-[2-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid
CID 157187986
N-[(1R)-2-(2-chloro-4-methylphenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1S)-1-(5-chloro-2-pyridinyl)-2-(3-cyanophenyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;methane;4-methyl-N-[2-phenyl-1,1-bis[6-(trifluoromethyl)-2-pyridinyl]ethyl]-3-(trifluoromethyl)benzamide
CID 157268991
1-Chloro-2,3-di(propan-2-yl)benzene;6-chloro-2,3-di(propan-2-yl)pyridine;6-cyclopropyl-2,3-di(propan-2-yl)pyridine;1,4-difluoro-2,3-di(propan-2-yl)benzene;1,2-di(propan-2-yl)benzene;2,3-di(propan-2-yl)phenol;1-[3,4-di(propan-2-yl)phenyl]but-3-en-2-one;2,3-di(propan-2-yl)pyridine;bis(3,4-di(propan-2-yl)pyridine);2,3-di(propan-2-yl)-6-(trifluoromethyl)pyridine;bis(1-fluoro-2,3-di(propan-2-yl)benzene);2-fluoro-3,4-di(propan-2-yl)pyridine;2-fluoro-4,5-di(propan-2-yl)pyridine;3-fluoro-4,5-di(propan-2-yl)pyridine;6-fluoro-2,3-di(propan-2-yl)pyridine;1-fluoro-4-methoxy-2,3-di(propan-2-yl)benzene;1-methoxy-2,3-di(propan-2-yl)benzene;4-methoxy-1,2-di(propan-2-yl)benzene;2-methoxy-4,5-di(propan-2-yl)pyridine;6-methoxy-2,3-di(propan-2-yl)pyridine;2-methyl-4,5-di(propan-2-yl)pyridine;6-methyl-2,3-di(propan-2-yl)pyridine;1-propan-2-yl-6-propan-2-ylidenecyclohexa-1,4-diene
CID 157423821
2-Chloro-4-fluoro-1-propan-2-ylbenzene;2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;4-fluoro-1-propan-2-yl-2-(trifluoromethyl)benzene;1-hydroxy-3-propan-2-ylpyridin-1-ium;methane;1-methoxy-4-propan-2-ylbenzene;1-propan-2-yl-2,4-bis(trifluoromethyl)benzene;5-propan-2-ylpyridine-2-carboxylic acid
CID 157548413
4-[(E)-but-2-en-2-yl]pyridine;2-chloro-4-fluoro-1-[(E)-prop-1-enyl]benzene;1,3-dimethoxy-5-[(E)-prop-1-enyl]benzene;2-fluoro-1-[(E)-prop-1-enyl]-4-(trifluoromethyl)benzene;1-methoxy-2-[(E)-prop-1-enyl]benzene;3-[(E)-prop-1-enyl]benzoic acid;2-[(E)-prop-1-enyl]pyridine;3-[(E)-prop-1-enyl]pyridine;1-[(E)-prop-1-enyl]-3-(trifluoromethoxy)benzene;1-[(E)-prop-1-enyl]-2-(trifluoromethyl)benzene
CID 157607269
(3R)-3-(5-chloro-2-pyridinyl)-1-[3-(1,1-difluoroethyl)-4-fluorophenyl]-3-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-4-(4-hydroxyphenyl)butan-1-one;(3S)-3-(5-chloro-2-pyridinyl)-1-[3-(1,1-difluoroethyl)-4-fluorophenyl]-3-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-4-(4-hydroxyphenyl)butan-1-one;4-[4-[(2R)-2-(5-chloro-2-pyridinyl)-4-[3-(1,1-difluoroethyl)-4-fluorophenyl]-2-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-4-oxobutyl]phenoxy]butanoic acid;methyl 4-[4-[(2S)-2-(5-chloro-2-pyridinyl)-4-[3-(1,1-difluoroethyl)-4-fluorophenyl]-2-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-4-oxobutyl]phenoxy]butanoate
CID 157731518
1-Chloro-2-propan-2-ylbenzene;1-(4-chloro-3-propan-2-ylphenyl)ethanone;cumene;2,4-difluoro-1-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;3-propan-2-ylaniline;propan-2-ylcyclopentane;2-propan-2-ylphenol;3-propan-2-ylphenol;1-(3-propan-2-ylphenyl)ethanol;1-(4-propan-2-ylphenyl)ethanol;1-(3-propan-2-ylphenyl)ethanone;1-(4-propan-2-ylphenyl)ethanone;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene;1-propan-2-yl-4-(trifluoromethyl)benzene;2,2,3-trimethylbutane
CID 158017380
1-[2-(Difluoromethoxy)phenyl]-3-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]propan-2-one;1-(2,4-difluorophenyl)-3-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]propan-2-one;1-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]-3-(3-methoxyphenyl)propan-2-one;1-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]-3-[3-(trifluoromethyl)phenyl]propan-2-one;1-(3-methoxy-4-methylphenyl)-3-(4-pyridin-4-ylphenyl)propan-2-one
CID 158081106
1-(4-Acetylphenyl)-3-[5-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-1-oxidopyridin-1-ium-2-yl]-4-(4-hydroxycyclohexyl)butan-2-one;3-[5-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-1-oxidopyridin-1-ium-2-yl]-4-(4,4-difluorocyclohexyl)-1-[4-(1-hydroxyethenyl)phenyl]butan-2-one;3-[5-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-1-oxidopyridin-1-ium-2-yl]-4-(4-hydroxycyclohexyl)-1-[4-(1-hydroxyethenyl)phenyl]butan-2-one;3-[5-[3-chloro-6-(difluoromethoxy)-2-fluorophenyl]-1-oxidopyridin-1-ium-2-yl]-1-[4-(1-hydroxyethenyl)phenyl]-4-(4-hydroxy-4-methylcyclohexyl)butan-2-one;3-[5-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-1-oxidopyridin-1-ium-2-yl]-1-[4-(1-hydroxyethenyl)phenyl]-4-(4-hydroxy-4-methylcyclohexyl)butan-2-one
CID 158197319
(3S)-4-[6-(2-chlorophenyl)-3-pyridinyl]-3-(methylamino)butan-2-one;(3S)-3-(methylamino)-4-[6-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]butan-2-one;(3S)-3-(methylamino)-4-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]butan-2-one;(3S)-3-(methylamino)-4-[6-[2-(trifluoromethyl)phenyl]-3-pyridinyl]butan-2-one
CID 158409328
1-[(3-chloro-2-fluorophenyl)methyl]-N,N-dimethyl-4-propan-2-ylcyclohexan-1-amine;N,N-dimethyl-1-(oxan-4-ylmethyl)-4-propan-2-ylcyclohexan-1-amine;1-[(3,4-dimethylphenyl)methyl]-N,N-dimethyl-4-propan-2-ylcyclohexan-1-amine;N,N-dimethyl-4-propan-2-yl-1-(pyridin-2-ylmethyl)cyclohexan-1-amine;N,N-dimethyl-4-propan-2-yl-1-(pyridin-3-ylmethyl)cyclohexan-1-amine;N,N-dimethyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)cyclohexan-1-amine;N,N-dimethyl-4-propan-2-yl-1-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine;N,N-dimethyl-4-propan-2-yl-1-[(2,3,4-trifluorophenyl)methyl]cyclohexan-1-amine;N,N-dimethyl-4-propan-2-yl-1-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine;1-methoxy-4-[(E)-2-(1-methyl-4-propan-2-ylcyclohexyl)ethenyl]benzene;1-[(3-methoxyphenyl)methyl]-N,N-dimethyl-4-propan-2-ylcyclohexan-1-amine;[(E)-2-(1-methyl-4-propan-2-ylcyclohexyl)ethenyl]benzene
CID 158435920

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2,3-di(propan-2-yl)benzene;1,4-difluoro-2,3-di(propan-2-yl)benzene;1,2-di(propan-2-yl)benzene;2,3-di(propan-2-yl)phenol;1-[3,4-di(propan-2-yl)phenyl]but-3-en-2-one;2,3-di(propan-2-yl)pyridine;bis(3,4-di(propan-2-yl)pyridine);2,3-di(propan-2-yl)-6-(trifluoromethyl)pyridine;bis(1-fluoro-2,3-di(propan-2-yl)benzene);2-fluoro-3,4-di(propan-2-yl)pyridine;2-fluoro-4,5-di(propan-2-yl)pyridine;3-fluoro-4,5-di(propan-2-yl)pyridine;6-fluoro-2,3-di(propan-2-yl)pyridine;1-fluoro-4-methoxy-2,3-di(propan-2-yl)benzene;1-methoxy-2,3-di(propan-2-yl)benzene;4-methoxy-1,2-di(propan-2-yl)benzene;2-methoxy-4,5-di(propan-2-yl)pyridine;6-methoxy-2,3-di(propan-2-yl)pyridine;2-methyl-4,5-di(propan-2-yl)pyridine;6-methyl-2,3-di(propan-2-yl)pyridine;1-propan-2-yl-6-propan-2-ylidenecyclohexa-1,4-diene?
The IUPAC name of 1-chloro-2,3-di(propan-2-yl)benzene;1,4-difluoro-2,3-di(propan-2-yl)benzene;1,2-di(propan-2-yl)benzene;2,3-di(propan-2-yl)phenol;1-[3,4-di(propan-2-yl)phenyl]but-3-en-2-one;2,3-di(propan-2-yl)pyridine;bis(3,4-di(propan-2-yl)pyridine);2,3-di(propan-2-yl)-6-(trifluoromethyl)pyridine;bis(1-fluoro-2,3-di(propan-2-yl)benzene);2-fluoro-3,4-di(propan-2-yl)pyridine;2-fluoro-4,5-di(propan-2-yl)pyridine;3-fluoro-4,5-di(propan-2-yl)pyridine;6-fluoro-2,3-di(propan-2-yl)pyridine;1-fluoro-4-methoxy-2,3-di(propan-2-yl)benzene;1-methoxy-2,3-di(propan-2-yl)benzene;4-methoxy-1,2-di(propan-2-yl)benzene;2-methoxy-4,5-di(propan-2-yl)pyridine;6-methoxy-2,3-di(propan-2-yl)pyridine;2-methyl-4,5-di(propan-2-yl)pyridine;6-methyl-2,3-di(propan-2-yl)pyridine;1-propan-2-yl-6-propan-2-ylidenecyclohexa-1,4-diene (CID 160604031) is 1-chloro-2,3-di(propan-2-yl)benzene;1,4-difluoro-2,3-di(propan-2-yl)benzene;1,2-di(propan-2-yl)benzene;2,3-di(propan-2-yl)phenol;1-[3,4-di(propan-2-yl)phenyl]but-3-en-2-one;2,3-di(propan-2-yl)pyridine;bis(3,4-di(propan-2-yl)pyridine);2,3-di(propan-2-yl)-6-(trifluoromethyl)pyridine;bis(1-fluoro-2,3-di(propan-2-yl)benzene);2-fluoro-3,4-di(propan-2-yl)pyridine;2-fluoro-4,5-di(propan-2-yl)pyridine;3-fluoro-4,5-di(propan-2-yl)pyridine;6-fluoro-2,3-di(propan-2-yl)pyridine;1-fluoro-4-methoxy-2,3-di(propan-2-yl)benzene;1-methoxy-2,3-di(propan-2-yl)benzene;4-methoxy-1,2-di(propan-2-yl)benzene;2-methoxy-4,5-di(propan-2-yl)pyridine;6-methoxy-2,3-di(propan-2-yl)pyridine;2-methyl-4,5-di(propan-2-yl)pyridine;6-methyl-2,3-di(propan-2-yl)pyridine;1-propan-2-yl-6-propan-2-ylidenecyclohexa-1,4-diene.
What is the SMILES notation for 1-chloro-2,3-di(propan-2-yl)benzene;1,4-difluoro-2,3-di(propan-2-yl)benzene;1,2-di(propan-2-yl)benzene;2,3-di(propan-2-yl)phenol;1-[3,4-di(propan-2-yl)phenyl]but-3-en-2-one;2,3-di(propan-2-yl)pyridine;bis(3,4-di(propan-2-yl)pyridine);2,3-di(propan-2-yl)-6-(trifluoromethyl)pyridine;bis(1-fluoro-2,3-di(propan-2-yl)benzene);2-fluoro-3,4-di(propan-2-yl)pyridine;2-fluoro-4,5-di(propan-2-yl)pyridine;3-fluoro-4,5-di(propan-2-yl)pyridine;6-fluoro-2,3-di(propan-2-yl)pyridine;1-fluoro-4-methoxy-2,3-di(propan-2-yl)benzene;1-methoxy-2,3-di(propan-2-yl)benzene;4-methoxy-1,2-di(propan-2-yl)benzene;2-methoxy-4,5-di(propan-2-yl)pyridine;6-methoxy-2,3-di(propan-2-yl)pyridine;2-methyl-4,5-di(propan-2-yl)pyridine;6-methyl-2,3-di(propan-2-yl)pyridine;1-propan-2-yl-6-propan-2-ylidenecyclohexa-1,4-diene?
The canonical SMILES for 1-chloro-2,3-di(propan-2-yl)benzene;1,4-difluoro-2,3-di(propan-2-yl)benzene;1,2-di(propan-2-yl)benzene;2,3-di(propan-2-yl)phenol;1-[3,4-di(propan-2-yl)phenyl]but-3-en-2-one;2,3-di(propan-2-yl)pyridine;bis(3,4-di(propan-2-yl)pyridine);2,3-di(propan-2-yl)-6-(trifluoromethyl)pyridine;bis(1-fluoro-2,3-di(propan-2-yl)benzene);2-fluoro-3,4-di(propan-2-yl)pyridine;2-fluoro-4,5-di(propan-2-yl)pyridine;3-fluoro-4,5-di(propan-2-yl)pyridine;6-fluoro-2,3-di(propan-2-yl)pyridine;1-fluoro-4-methoxy-2,3-di(propan-2-yl)benzene;1-methoxy-2,3-di(propan-2-yl)benzene;4-methoxy-1,2-di(propan-2-yl)benzene;2-methoxy-4,5-di(propan-2-yl)pyridine;6-methoxy-2,3-di(propan-2-yl)pyridine;2-methyl-4,5-di(propan-2-yl)pyridine;6-methyl-2,3-di(propan-2-yl)pyridine;1-propan-2-yl-6-propan-2-ylidenecyclohexa-1,4-diene is C=CC(=O)Cc1ccc(C(C)C)c(C(C)C)c1.CC(C)=C1C=CCC=C1C(C)C.CC(C)c1c(F)ccc(F)c1C(C)C.CC(C)c1ccc(C(F)(F)F)nc1C(C)C.CC(C)c1ccc(F)nc1C(C)C.CC(C)c1cccc(Cl)c1C(C)C.CC(C)c1cccc(F)c1C(C)C.CC(C)c1cccc(F)c1C(C)C.CC(C)c1cccc(O)c1C(C)C.CC(C)c1ccccc1C(C)C.CC(C)c1cccnc1C(C)C.CC(C)c1ccnc(F)c1C(C)C.CC(C)c1ccncc1C(C)C.CC(C)c1ccncc1C(C)C.CC(C)c1cnc(F)cc1C(C)C.CC(C)c1cncc(F)c1C(C)C.COc1cc(C(C)C)c(C(C)C)cn1.COc1ccc(C(C)C)c(C(C)C)c1.COc1ccc(C(C)C)c(C(C)C)n1.COc1ccc(F)c(C(C)C)c1C(C)C.COc1cccc(C(C)C)c1C(C)C.Cc1cc(C(C)C)c(C(C)C)cn1.Cc1ccc(C(C)C)c(C(C)C)n1.
What is the InChIKey of 1-chloro-2,3-di(propan-2-yl)benzene;1,4-difluoro-2,3-di(propan-2-yl)benzene;1,2-di(propan-2-yl)benzene;2,3-di(propan-2-yl)phenol;1-[3,4-di(propan-2-yl)phenyl]but-3-en-2-one;2,3-di(propan-2-yl)pyridine;bis(3,4-di(propan-2-yl)pyridine);2,3-di(propan-2-yl)-6-(trifluoromethyl)pyridine;bis(1-fluoro-2,3-di(propan-2-yl)benzene);2-fluoro-3,4-di(propan-2-yl)pyridine;2-fluoro-4,5-di(propan-2-yl)pyridine;3-fluoro-4,5-di(propan-2-yl)pyridine;6-fluoro-2,3-di(propan-2-yl)pyridine;1-fluoro-4-methoxy-2,3-di(propan-2-yl)benzene;1-methoxy-2,3-di(propan-2-yl)benzene;4-methoxy-1,2-di(propan-2-yl)benzene;2-methoxy-4,5-di(propan-2-yl)pyridine;6-methoxy-2,3-di(propan-2-yl)pyridine;2-methyl-4,5-di(propan-2-yl)pyridine;6-methyl-2,3-di(propan-2-yl)pyridine;1-propan-2-yl-6-propan-2-ylidenecyclohexa-1,4-diene?
The InChIKey is REQJUHAOROHEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O.C13H19FO.2C13H20O.C12H17Cl.C12H16F3N.C12H16F2.2C12H17F.2C12H19NO.2C12H19N.C12H18O.2C12H18.4C11H16FN.3C11H17N/c1-6-14(17)9-13-7-8-15(11(2)3)16(10-13)12(4)5;1-8(2)12-10(14)6-7-11(15-5)13(12)9(3)4;1-9(2)12-7-6-11(14-5)8-13(12)10(3)4;1-9(2)11-7-6-8-12(14-5)13(11)10(3)4;1-8(2)10-6-5-7-11(13)12(10)9(3)4;1-7(2)9-5-6-10(12(13,14)15)16-11(9)8(3)4;1-7(2)11-9(13)5-6-10(14)12(11)8(3)4;2*1-8(2)10-6-5-7-11(13)12(10)9(3)4;1-8(2)10-6-12(14-5)13-7-11(10)9(3)4;1-8(2)10-6-7-11(14-5)13-12(10)9(3)4;1-8(2)11-6-10(5)13-7-12(11)9(3)4;1-8(2)11-7-6-10(5)13-12(11)9(3)4;1-8(2)10-6-5-7-11(13)12(10)9(3)4;2*1-9(2)11-7-5-6-8-12(11)10(3)4;1-7(2)9-5-13-6-10(12)11(9)8(3)4;1-7(2)9-5-11(12)13-6-10(9)8(3)4;1-7(2)9-5-6-13-11(12)10(9)8(3)4;1-7(2)9-5-6-10(12)13-11(9)8(3)4;2*1-8(2)10-5-6-12-7-11(10)9(3)4;1-8(2)10-6-5-7-12-11(10)9(3)4/h6-8,10-12H,1,9H2,2-5H3;6-9H,1-5H3;2*6-10H,1-5H3;5-9H,1-4H3;5-8H,1-4H3;5-8H,1-4H3;2*5-9H,1-4H3;2*6-9H,1-5H3;2*6-9H,1-5H3;5-9,13H,1-4H3;5,7-8,10H,6H2,1-4H3;5-10H,1-4H3;4*5-8H,1-4H3;3*5-9H,1-4H3.
What are the key properties of 1-chloro-2,3-di(propan-2-yl)benzene;1,4-difluoro-2,3-di(propan-2-yl)benzene;1,2-di(propan-2-yl)benzene;2,3-di(propan-2-yl)phenol;1-[3,4-di(propan-2-yl)phenyl]but-3-en-2-one;2,3-di(propan-2-yl)pyridine;bis(3,4-di(propan-2-yl)pyridine);2,3-di(propan-2-yl)-6-(trifluoromethyl)pyridine;bis(1-fluoro-2,3-di(propan-2-yl)benzene);2-fluoro-3,4-di(propan-2-yl)pyridine;2-fluoro-4,5-di(propan-2-yl)pyridine;3-fluoro-4,5-di(propan-2-yl)pyridine;6-fluoro-2,3-di(propan-2-yl)pyridine;1-fluoro-4-methoxy-2,3-di(propan-2-yl)benzene;1-methoxy-2,3-di(propan-2-yl)benzene;4-methoxy-1,2-di(propan-2-yl)benzene;2-methoxy-4,5-di(propan-2-yl)pyridine;6-methoxy-2,3-di(propan-2-yl)pyridine;2-methyl-4,5-di(propan-2-yl)pyridine;6-methyl-2,3-di(propan-2-yl)pyridine;1-propan-2-yl-6-propan-2-ylidenecyclohexa-1,4-diene?
1-chloro-2,3-di(propan-2-yl)benzene;1,4-difluoro-2,3-di(propan-2-yl)benzene;1,2-di(propan-2-yl)benzene;2,3-di(propan-2-yl)phenol;1-[3,4-di(propan-2-yl)phenyl]but-3-en-2-one;2,3-di(propan-2-yl)pyridine;bis(3,4-di(propan-2-yl)pyridine);2,3-di(propan-2-yl)-6-(trifluoromethyl)pyridine;bis(1-fluoro-2,3-di(propan-2-yl)benzene);2-fluoro-3,4-di(propan-2-yl)pyridine;2-fluoro-4,5-di(propan-2-yl)pyridine;3-fluoro-4,5-di(propan-2-yl)pyridine;6-fluoro-2,3-di(propan-2-yl)pyridine;1-fluoro-4-methoxy-2,3-di(propan-2-yl)benzene;1-methoxy-2,3-di(propan-2-yl)benzene;4-methoxy-1,2-di(propan-2-yl)benzene;2-methoxy-4,5-di(propan-2-yl)pyridine;6-methoxy-2,3-di(propan-2-yl)pyridine;2-methyl-4,5-di(propan-2-yl)pyridine;6-methyl-2,3-di(propan-2-yl)pyridine;1-propan-2-yl-6-propan-2-ylidenecyclohexa-1,4-diene has a molecular weight of 4270.81 g/mol, XLogP of 86.73, 53 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2,3-di(propan-2-yl)benzene;1,4-difluoro-2,3-di(propan-2-yl)benzene;1,2-di(propan-2-yl)benzene;2,3-di(propan-2-yl)phenol;1-[3,4-di(propan-2-yl)phenyl]but-3-en-2-one;2,3-di(propan-2-yl)pyridine;bis(3,4-di(propan-2-yl)pyridine);2,3-di(propan-2-yl)-6-(trifluoromethyl)pyridine;bis(1-fluoro-2,3-di(propan-2-yl)benzene);2-fluoro-3,4-di(propan-2-yl)pyridine;2-fluoro-4,5-di(propan-2-yl)pyridine;3-fluoro-4,5-di(propan-2-yl)pyridine;6-fluoro-2,3-di(propan-2-yl)pyridine;1-fluoro-4-methoxy-2,3-di(propan-2-yl)benzene;1-methoxy-2,3-di(propan-2-yl)benzene;4-methoxy-1,2-di(propan-2-yl)benzene;2-methoxy-4,5-di(propan-2-yl)pyridine;6-methoxy-2,3-di(propan-2-yl)pyridine;2-methyl-4,5-di(propan-2-yl)pyridine;6-methyl-2,3-di(propan-2-yl)pyridine;1-propan-2-yl-6-propan-2-ylidenecyclohexa-1,4-diene is sourced from PubChem (CID 160604031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).