(4-chloro-2-propan-2-ylphenyl)methanol;cumene;2,4-dimethyl-1-propan-2-ylbenzene;bis(4-fluoro-1-methyl-2-propan-2-ylbenzene);4-fluoro-2-methyl-1-propan-2-ylbenzene;(4-fluoro-2-propan-2-ylphenyl)methanol;2-isocyano-4-methyl-1-propan-2-ylbenzene;(5-methoxy-2-propan-2-ylphenyl)methanol;2-methoxy-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;bis((5-methyl-2-propan-2-ylphenyl)methanol);2-methyl-3-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylpyridine);5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;(2-propan-2-ylphenyl)methanol;5-propan-2-ylpyrimidine

C204H283ClF4N10O8 — CID 161093825

IUPAC(4-chloro-2-propan-2-ylphenyl)methanol;cumene;2,4-dimethyl-1-propan-2-ylbenzene;bis(4-fluoro-1-methyl-2-propan-2-ylbenzene);4-fluoro-2-methyl-1-propan-2-ylbenzene;(4-fluoro-2-propan-2-ylphenyl)methanol;2-isocyano-4-methyl-1-propan-2-ylbenzene;(5-methoxy-2-propan-2-ylphenyl)methanol;2-methoxy-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;bis((5-methyl-2-propan-2-ylphenyl)methanol);2-methyl-3-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylpyridine);5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;(2-propan-2-ylphenyl)methanol;5-propan-2-ylpyrimidine
SMILESCC(C)c1cc(Cl)ccc1CO.CC(C)c1cc(F)ccc1CO.CC(C)c1ccccc1.CC(C)c1ccccc1CO.CC(C)c1cncnc1.COc1ccc(C(C)C)c(CO)c1.COc1ccc(C(C)C)cn1.Cc1cc(F)ccc1C(C)C.Cc1ccc(C(C)C)c(C)c1.Cc1ccc(C(C)C)c(CO)c1.Cc1ccc(C(C)C)c(CO)c1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)nc1.Cc1ccc(F)cc1C(C)C.Cc1ccc(F)cc1C(C)C.Cc1ccccc1C(C)C.Cc1ncc(C(C)C)cn1.Cc1ncccc1C(C)C.[C-]#[N+]c1cc(C)ccc1C(C)C
InChIInChI=1S/C11H13N.C11H16O2.2C11H16O.C11H16.C10H13ClO.C10H13FO.3C10H13F.C10H14O.2C10H14.C9H13NO.4C9H13N.C9H12.C8H12N2.C7H10N2/c1-8(2)10-6-5-9(3)7-11(10)12-4;1-8(2)11-5-4-10(13-3)6-9(11)7-12;2*1-8(2)11-5-4-9(3)6-10(11)7-12;1-8(2)11-6-5-9(3)7-10(11)4;2*1-7(2)10-5-9(11)4-3-8(10)6-12;1-7(2)10-5-4-9(11)6-8(10)3;2*1-7(2)10-6-9(11)5-4-8(10)3;1-8(2)10-6-4-3-5-9(10)7-11;1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-7-5-4-6-9(10)3;1-7(2)8-4-5-9(11-3)10-6-8;2*1-7(2)9-5-4-8(3)10-6-9;1-7(2)9-5-4-8(3)6-10-9;1-7(2)9-5-4-6-10-8(9)3;1-8(2)9-6-4-3-5-7-9;1-6(2)8-4-9-7(3)10-5-8;1-6(2)7-3-8-5-9-4-7/h5-8H,1-3H3;4-6,8,12H,7H2,1-3H3;2*4-6,8,12H,7H2,1-3H3;5-8H,1-4H3;2*3-5,7,12H,6H2,1-2H3;3*4-7H,1-3H3;3-6,8,11H,7H2,1-2H3;2*4-8H,1-3H3;4-7H,1-3H3;4*4-7H,1-3H3;3-8H,1-2H3;4-6H,1-3H3;3-6H,1-2H3
InChIKeyUHNGXIDFJMLJJE-UHFFFAOYSA-N
MW3115.01 g/mol
LogP56.92
Rot. Bonds29

About (4-chloro-2-propan-2-ylphenyl)methanol;cumene;2,4-dimethyl-1-propan-2-ylbenzene;bis(4-fluoro-1-methyl-2-propan-2-ylbenzene);4-fluoro-2-methyl-1-propan-2-ylbenzene;(4-fluoro-2-propan-2-ylphenyl)methanol;2-isocyano-4-methyl-1-propan-2-ylbenzene;(5-methoxy-2-propan-2-ylphenyl)methanol;2-methoxy-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;bis((5-methyl-2-propan-2-ylphenyl)methanol);2-methyl-3-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylpyridine);5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;(2-propan-2-ylphenyl)methanol;5-propan-2-ylpyrimidine

(4-chloro-2-propan-2-ylphenyl)methanol;cumene;2,4-dimethyl-1-propan-2-ylbenzene;bis(4-fluoro-1-methyl-2-propan-2-ylbenzene);4-fluoro-2-methyl-1-propan-2-ylbenzene;(4-fluoro-2-propan-2-ylphenyl)methanol;2-isocyano-4-methyl-1-propan-2-ylbenzene;(5-methoxy-2-propan-2-ylphenyl)methanol;2-methoxy-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;bis((5-methyl-2-propan-2-ylphenyl)methanol);2-methyl-3-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylpyridine);5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;(2-propan-2-ylphenyl)methanol;5-propan-2-ylpyrimidine (PubChem CID 161093825) has the molecular formula C204H283ClF4N10O8 and a molecular weight of 3115.01 g/mol. Its IUPAC name is (4-chloro-2-propan-2-ylphenyl)methanol;cumene;2,4-dimethyl-1-propan-2-ylbenzene;bis(4-fluoro-1-methyl-2-propan-2-ylbenzene);4-fluoro-2-methyl-1-propan-2-ylbenzene;(4-fluoro-2-propan-2-ylphenyl)methanol;2-isocyano-4-methyl-1-propan-2-ylbenzene;(5-methoxy-2-propan-2-ylphenyl)methanol;2-methoxy-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;bis((5-methyl-2-propan-2-ylphenyl)methanol);2-methyl-3-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylpyridine);5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;(2-propan-2-ylphenyl)methanol;5-propan-2-ylpyrimidine.

Molecular Properties

Compound Name(4-chloro-2-propan-2-ylphenyl)methanol;cumene;2,4-dimethyl-1-propan-2-ylbenzene;bis(4-fluoro-1-methyl-2-propan-2-ylbenzene);4-fluoro-2-methyl-1-propan-2-ylbenzene;(4-fluoro-2-propan-2-ylphenyl)methanol;2-isocyano-4-methyl-1-propan-2-ylbenzene;(5-methoxy-2-propan-2-ylphenyl)methanol;2-methoxy-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;bis((5-methyl-2-propan-2-ylphenyl)methanol);2-methyl-3-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylpyridine);5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;(2-propan-2-ylphenyl)methanol;5-propan-2-ylpyrimidine
PubChem CID161093825
Molecular FormulaC204H283ClF4N10O8
Molecular Weight3115.01 g/mol
Exact Mass3112.17
IUPAC Name(4-chloro-2-propan-2-ylphenyl)methanol;cumene;2,4-dimethyl-1-propan-2-ylbenzene;bis(4-fluoro-1-methyl-2-propan-2-ylbenzene);4-fluoro-2-methyl-1-propan-2-ylbenzene;(4-fluoro-2-propan-2-ylphenyl)methanol;2-isocyano-4-methyl-1-propan-2-ylbenzene;(5-methoxy-2-propan-2-ylphenyl)methanol;2-methoxy-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;bis((5-methyl-2-propan-2-ylphenyl)methanol);2-methyl-3-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylpyridine);5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;(2-propan-2-ylphenyl)methanol;5-propan-2-ylpyrimidine
SMILESCC(C)c1cc(Cl)ccc1CO.CC(C)c1cc(F)ccc1CO.CC(C)c1ccccc1.CC(C)c1ccccc1CO.CC(C)c1cncnc1.COc1ccc(C(C)C)c(CO)c1.COc1ccc(C(C)C)cn1.Cc1cc(F)ccc1C(C)C.Cc1ccc(C(C)C)c(C)c1.Cc1ccc(C(C)C)c(CO)c1.Cc1ccc(C(C)C)c(CO)c1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)nc1.Cc1ccc(F)cc1C(C)C.Cc1ccc(F)cc1C(C)C.Cc1ccccc1C(C)C.Cc1ncc(C(C)C)cn1.Cc1ncccc1C(C)C.[C-]#[N+]c1cc(C)ccc1C(C)C
InChIInChI=1S/C11H13N.C11H16O2.2C11H16O.C11H16.C10H13ClO.C10H13FO.3C10H13F.C10H14O.2C10H14.C9H13NO.4C9H13N.C9H12.C8H12N2.C7H10N2/c1-8(2)10-6-5-9(3)7-11(10)12-4;1-8(2)11-5-4-10(13-3)6-9(11)7-12;2*1-8(2)11-5-4-9(3)6-10(11)7-12;1-8(2)11-6-5-9(3)7-10(11)4;2*1-7(2)10-5-9(11)4-3-8(10)6-12;1-7(2)10-5-4-9(11)6-8(10)3;2*1-7(2)10-6-9(11)5-4-8(10)3;1-8(2)10-6-4-3-5-9(10)7-11;1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-7-5-4-6-9(10)3;1-7(2)8-4-5-9(11-3)10-6-8;2*1-7(2)9-5-4-8(3)10-6-9;1-7(2)9-5-4-8(3)6-10-9;1-7(2)9-5-4-6-10-8(9)3;1-8(2)9-6-4-3-5-7-9;1-6(2)8-4-9-7(3)10-5-8;1-6(2)7-3-8-5-9-4-7/h5-8H,1-3H3;4-6,8,12H,7H2,1-3H3;2*4-6,8,12H,7H2,1-3H3;5-8H,1-4H3;2*3-5,7,12H,6H2,1-2H3;3*4-7H,1-3H3;3-6,8,11H,7H2,1-2H3;2*4-8H,1-3H3;4-7H,1-3H3;4*4-7H,1-3H3;3-8H,1-2H3;4-6H,1-3H3;3-6H,1-2H3
InChIKeyUHNGXIDFJMLJJE-UHFFFAOYSA-N
XLogP56.92
TPSA260.21 Ų
H-Bond Donors6
H-Bond Acceptors17
Rotatable Bonds29
Heavy Atoms227
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003115.01
LogP ≤ 556.92
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze (4-chloro-2-propan-2-ylphenyl)methanol;cumene;2,4-dimethyl-1-propan-2-ylbenzene;bis(4-fluoro-1-methyl-2-propan-2-ylbenzene);4-fluoro-2-methyl-1-propan-2-ylbenzene;(4-fluoro-2-propan-2-ylphenyl)methanol;2-isocyano-4-methyl-1-propan-2-ylbenzene;(5-methoxy-2-propan-2-ylphenyl)methanol;2-methoxy-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;bis((5-methyl-2-propan-2-ylphenyl)methanol);2-methyl-3-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylpyridine);5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;(2-propan-2-ylphenyl)methanol;5-propan-2-ylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-Chloro-4-[5-[2-(2,4-dichlorophenyl)-1-hydroxy-1-[5-[4-(trifluoromethoxy)phenyl]pyridin-2-yl]ethyl]pyrimidin-2-yl]phenyl]-1-pyrimidin-5-yl-1-[5-[4-(trifluoromethoxy)phenyl]pyridin-2-yl]ethanol
CID 144947639
7-[2-(3-Chloro-4-fluorophenyl)-3-pyridinyl]quinazoline-2,4-diamine;6-[2-[3-(cyclopropylmethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazoline-2,4-diamine;6-[2-(3-morpholin-4-ylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine
CID 157416471
bis(1-chloro-2-methyl-4-propan-2-ylbenzene);4-chloro-2-methyl-1-propan-2-ylbenzene;2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;cumene;2,4-dichloro-1-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-ylpyridine;bis(2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene);2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;4-propan-2-yl-3H-pyrrole;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine
CID 157653688
6-[2-(5-Chloro-2,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(2,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(2,5-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-methoxyphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine
CID 157867768
3-chloro-5-propan-2-ylpyridine;2,4-dimethoxy-5-propan-2-ylpyrimidine;N,N-dimethyl-3-propan-2-ylaniline;1-ethyl-3-propan-2-ylbenzene;3-fluoro-1-(2-methyl-5-propan-2-ylphenyl)pyrrolidine;1-isocyano-2-propan-2-ylbenzene;methane;3-methyl-1-(2-methyl-5-propan-2-ylphenyl)pyrrolidine;1-methyl-2-propan-2-ylbenzene;octakis(1-methyl-3-propan-2-ylbenzene);1-methyl-3-propan-2-ylcyclohexane;2-methyl-5-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;(2S)-1-(3-propan-2-ylphenoxy)butan-2-ol;(2R)-3-(3-propan-2-ylphenoxy)propane-1,2-diol;1-(3-propan-2-ylphenyl)pyrrolidine;1-propan-2-yl-3-(trifluoromethyl)piperidine;3-propan-2-yl-5-(trifluoromethyl)pyridine
CID 158191902
Bis(1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]naphthalen-2-ol);1-[(3,5-dichloro-2-pyridinyl)diazenyl]naphthalen-2-ol;10-[(3,5-dichloro-2-pyridinyl)diazenyl]phenanthren-9-ol;1-[[6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]diazenyl]naphthalen-2-ol;1-[(6-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol;nickel;ZINC
CID 158270448
7-[2-(3-Chloro-4-fluorophenyl)-3-pyridinyl]quinazoline-2,4-diamine;6-[2-[3-(cyclopropylmethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(2-methoxyethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine;6-[2-(3-morpholin-4-ylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-[3-(2,2,2-trifluoroethoxy)phenyl]-3-pyridinyl]quinazolin-4-amine
CID 158360308
tert-butylbenzene;1-tert-butyl-4-chloro-2-methylbenzene;1-tert-butyl-2,4-dichlorobenzene;1-tert-butyl-4-fluoro-2-methylbenzene;bis(1-tert-butyl-4-methylbenzene);2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butyl-3H-pyrrole;2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;cumene;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine
CID 158402779
CID 158517499
CID 158517499
2-[7-[4-Chloro-3-(trifluoromethyl)phenyl]nonyl]-5,6,7,8-tetrahydroquinoline;2-[7-[6-(difluoromethoxy)-3-pyridinyl]nonyl]-5,6,7,8-tetrahydroquinoline;2-[7-[4-fluoro-3-(trifluoromethyl)phenyl]nonyl]-5,6,7,8-tetrahydroquinoline;2-[7-[3-(trifluoromethyl)phenyl]nonyl]-5,6,7,8-tetrahydroquinoline;2-[7-[2-(trifluoromethyl)pyrimidin-5-yl]nonyl]-5,6,7,8-tetrahydroquinoline
CID 158529794
1-Chloro-3-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;2,6-difluoro-3-propan-2-ylpyridine;4-fluoro-2-methyl-1-propan-2-ylbenzene;2-fluoro-4-methyl-5-propan-2-ylpyridine;5-fluoro-3-methyl-2-propan-2-ylpyridine;6-fluoro-2-methyl-3-propan-2-ylpyridine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1-isocyano-2-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methyl-3-propan-2-ylpyrazine;3-methyl-4-propan-2-ylpyridazine;4-methyl-3-propan-2-ylpyridazine;3-methyl-4-propan-2-ylpyridine;4-methyl-5-propan-2-ylpyrimidine;5-methyl-4-propan-2-ylpyrimidine;3-propan-2-ylbenzonitrile;4-propan-2-ylbenzonitrile;2-(6-propan-2-yl-3-pyridinyl)propan-2-ol;2-propan-2-yl-5-(trifluoromethyl)pyridine;2,2,3-trimethylbutane
CID 158548710
3,8-Bis(3,4-difluorophenyl)-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3,8-bis[2-(trifluoromethyl)phenyl]-2,4,7,9-tetrahydro-[1,3]benzoxazino[6,7-g][1,3]benzoxazine;3,10-bis(2,4,6-trifluorophenyl)-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine;1,2-difluoro-4-methylbenzene;1,3-difluoro-2-methylbenzene;1,4-difluoro-2-methylbenzene;2,4-difluoro-1-methylbenzene;1-fluoro-4-methylbenzene;10-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]-2,4,9,11-tetrahydro-[1,3]benzoxazino[7,6-h][1,3]benzoxazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;1-methyl-3-(trifluoromethyl)benzene;toluene;1,3,5-trifluoro-2-methylbenzene
CID 158795075

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-propan-2-ylphenyl)methanol;cumene;2,4-dimethyl-1-propan-2-ylbenzene;bis(4-fluoro-1-methyl-2-propan-2-ylbenzene);4-fluoro-2-methyl-1-propan-2-ylbenzene;(4-fluoro-2-propan-2-ylphenyl)methanol;2-isocyano-4-methyl-1-propan-2-ylbenzene;(5-methoxy-2-propan-2-ylphenyl)methanol;2-methoxy-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;bis((5-methyl-2-propan-2-ylphenyl)methanol);2-methyl-3-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylpyridine);5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;(2-propan-2-ylphenyl)methanol;5-propan-2-ylpyrimidine?
The IUPAC name of (4-chloro-2-propan-2-ylphenyl)methanol;cumene;2,4-dimethyl-1-propan-2-ylbenzene;bis(4-fluoro-1-methyl-2-propan-2-ylbenzene);4-fluoro-2-methyl-1-propan-2-ylbenzene;(4-fluoro-2-propan-2-ylphenyl)methanol;2-isocyano-4-methyl-1-propan-2-ylbenzene;(5-methoxy-2-propan-2-ylphenyl)methanol;2-methoxy-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;bis((5-methyl-2-propan-2-ylphenyl)methanol);2-methyl-3-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylpyridine);5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;(2-propan-2-ylphenyl)methanol;5-propan-2-ylpyrimidine (CID 161093825) is (4-chloro-2-propan-2-ylphenyl)methanol;cumene;2,4-dimethyl-1-propan-2-ylbenzene;bis(4-fluoro-1-methyl-2-propan-2-ylbenzene);4-fluoro-2-methyl-1-propan-2-ylbenzene;(4-fluoro-2-propan-2-ylphenyl)methanol;2-isocyano-4-methyl-1-propan-2-ylbenzene;(5-methoxy-2-propan-2-ylphenyl)methanol;2-methoxy-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;bis((5-methyl-2-propan-2-ylphenyl)methanol);2-methyl-3-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylpyridine);5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;(2-propan-2-ylphenyl)methanol;5-propan-2-ylpyrimidine.
What is the SMILES notation for (4-chloro-2-propan-2-ylphenyl)methanol;cumene;2,4-dimethyl-1-propan-2-ylbenzene;bis(4-fluoro-1-methyl-2-propan-2-ylbenzene);4-fluoro-2-methyl-1-propan-2-ylbenzene;(4-fluoro-2-propan-2-ylphenyl)methanol;2-isocyano-4-methyl-1-propan-2-ylbenzene;(5-methoxy-2-propan-2-ylphenyl)methanol;2-methoxy-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;bis((5-methyl-2-propan-2-ylphenyl)methanol);2-methyl-3-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylpyridine);5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;(2-propan-2-ylphenyl)methanol;5-propan-2-ylpyrimidine?
The canonical SMILES for (4-chloro-2-propan-2-ylphenyl)methanol;cumene;2,4-dimethyl-1-propan-2-ylbenzene;bis(4-fluoro-1-methyl-2-propan-2-ylbenzene);4-fluoro-2-methyl-1-propan-2-ylbenzene;(4-fluoro-2-propan-2-ylphenyl)methanol;2-isocyano-4-methyl-1-propan-2-ylbenzene;(5-methoxy-2-propan-2-ylphenyl)methanol;2-methoxy-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;bis((5-methyl-2-propan-2-ylphenyl)methanol);2-methyl-3-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylpyridine);5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;(2-propan-2-ylphenyl)methanol;5-propan-2-ylpyrimidine is CC(C)c1cc(Cl)ccc1CO.CC(C)c1cc(F)ccc1CO.CC(C)c1ccccc1.CC(C)c1ccccc1CO.CC(C)c1cncnc1.COc1ccc(C(C)C)c(CO)c1.COc1ccc(C(C)C)cn1.Cc1cc(F)ccc1C(C)C.Cc1ccc(C(C)C)c(C)c1.Cc1ccc(C(C)C)c(CO)c1.Cc1ccc(C(C)C)c(CO)c1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)nc1.Cc1ccc(F)cc1C(C)C.Cc1ccc(F)cc1C(C)C.Cc1ccccc1C(C)C.Cc1ncc(C(C)C)cn1.Cc1ncccc1C(C)C.[C-]#[N+]c1cc(C)ccc1C(C)C.
What is the InChIKey of (4-chloro-2-propan-2-ylphenyl)methanol;cumene;2,4-dimethyl-1-propan-2-ylbenzene;bis(4-fluoro-1-methyl-2-propan-2-ylbenzene);4-fluoro-2-methyl-1-propan-2-ylbenzene;(4-fluoro-2-propan-2-ylphenyl)methanol;2-isocyano-4-methyl-1-propan-2-ylbenzene;(5-methoxy-2-propan-2-ylphenyl)methanol;2-methoxy-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;bis((5-methyl-2-propan-2-ylphenyl)methanol);2-methyl-3-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylpyridine);5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;(2-propan-2-ylphenyl)methanol;5-propan-2-ylpyrimidine?
The InChIKey is UHNGXIDFJMLJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N.C11H16O2.2C11H16O.C11H16.C10H13ClO.C10H13FO.3C10H13F.C10H14O.2C10H14.C9H13NO.4C9H13N.C9H12.C8H12N2.C7H10N2/c1-8(2)10-6-5-9(3)7-11(10)12-4;1-8(2)11-5-4-10(13-3)6-9(11)7-12;2*1-8(2)11-5-4-9(3)6-10(11)7-12;1-8(2)11-6-5-9(3)7-10(11)4;2*1-7(2)10-5-9(11)4-3-8(10)6-12;1-7(2)10-5-4-9(11)6-8(10)3;2*1-7(2)10-6-9(11)5-4-8(10)3;1-8(2)10-6-4-3-5-9(10)7-11;1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-7-5-4-6-9(10)3;1-7(2)8-4-5-9(11-3)10-6-8;2*1-7(2)9-5-4-8(3)10-6-9;1-7(2)9-5-4-8(3)6-10-9;1-7(2)9-5-4-6-10-8(9)3;1-8(2)9-6-4-3-5-7-9;1-6(2)8-4-9-7(3)10-5-8;1-6(2)7-3-8-5-9-4-7/h5-8H,1-3H3;4-6,8,12H,7H2,1-3H3;2*4-6,8,12H,7H2,1-3H3;5-8H,1-4H3;2*3-5,7,12H,6H2,1-2H3;3*4-7H,1-3H3;3-6,8,11H,7H2,1-2H3;2*4-8H,1-3H3;4-7H,1-3H3;4*4-7H,1-3H3;3-8H,1-2H3;4-6H,1-3H3;3-6H,1-2H3.
What are the key properties of (4-chloro-2-propan-2-ylphenyl)methanol;cumene;2,4-dimethyl-1-propan-2-ylbenzene;bis(4-fluoro-1-methyl-2-propan-2-ylbenzene);4-fluoro-2-methyl-1-propan-2-ylbenzene;(4-fluoro-2-propan-2-ylphenyl)methanol;2-isocyano-4-methyl-1-propan-2-ylbenzene;(5-methoxy-2-propan-2-ylphenyl)methanol;2-methoxy-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;bis((5-methyl-2-propan-2-ylphenyl)methanol);2-methyl-3-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylpyridine);5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;(2-propan-2-ylphenyl)methanol;5-propan-2-ylpyrimidine?
(4-chloro-2-propan-2-ylphenyl)methanol;cumene;2,4-dimethyl-1-propan-2-ylbenzene;bis(4-fluoro-1-methyl-2-propan-2-ylbenzene);4-fluoro-2-methyl-1-propan-2-ylbenzene;(4-fluoro-2-propan-2-ylphenyl)methanol;2-isocyano-4-methyl-1-propan-2-ylbenzene;(5-methoxy-2-propan-2-ylphenyl)methanol;2-methoxy-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;bis((5-methyl-2-propan-2-ylphenyl)methanol);2-methyl-3-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylpyridine);5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;(2-propan-2-ylphenyl)methanol;5-propan-2-ylpyrimidine has a molecular weight of 3115.01 g/mol, XLogP of 56.92, 29 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-propan-2-ylphenyl)methanol;cumene;2,4-dimethyl-1-propan-2-ylbenzene;bis(4-fluoro-1-methyl-2-propan-2-ylbenzene);4-fluoro-2-methyl-1-propan-2-ylbenzene;(4-fluoro-2-propan-2-ylphenyl)methanol;2-isocyano-4-methyl-1-propan-2-ylbenzene;(5-methoxy-2-propan-2-ylphenyl)methanol;2-methoxy-5-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;bis((5-methyl-2-propan-2-ylphenyl)methanol);2-methyl-3-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylpyridine);5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;(2-propan-2-ylphenyl)methanol;5-propan-2-ylpyrimidine is sourced from PubChem (CID 161093825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).