1-benzyl-3-propan-2-ylbenzene;1-chloro-3-methoxy-5-(2-methylpropyl)benzene;2-chloro-1-methyl-4-(3-methylbutyl)benzene;2-(1,1-difluoroethyl)-5-(2-methylpropyl)pyridine;2-(1,1-difluoroethyl)-5-propan-2-ylpyrazine;2-(1,1-difluoroethyl)-5-propan-2-ylpyrimidine;2-(1-fluoroethoxy)-5-propan-2-ylpyridine;methane;1-methoxy-4-(3-propan-2-ylphenyl)benzene;2-methyl-5-(3-methylbutyl)pyridine;1-methyl-3-(3-propan-2-ylphenyl)benzene;1-methyl-3-(4-propan-2-ylphenyl)benzene;1-methyl-4-(4-propan-2-ylphenyl)benzene;5-methyl-2-propan-2-ylpyridine;1-(2-methylpropyl)-4-propan-2-yloxybenzene;1-phenoxy-4-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;3-propan-2-ylpyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine

C245H326Cl2F10N10O5 — CID 167682661

IUPAC1-benzyl-3-propan-2-ylbenzene;1-chloro-3-methoxy-5-(2-methylpropyl)benzene;2-chloro-1-methyl-4-(3-methylbutyl)benzene;2-(1,1-difluoroethyl)-5-(2-methylpropyl)pyridine;2-(1,1-difluoroethyl)-5-propan-2-ylpyrazine;2-(1,1-difluoroethyl)-5-propan-2-ylpyrimidine;2-(1-fluoroethoxy)-5-propan-2-ylpyridine;methane;1-methoxy-4-(3-propan-2-ylphenyl)benzene;2-methyl-5-(3-methylbutyl)pyridine;1-methyl-3-(3-propan-2-ylphenyl)benzene;1-methyl-3-(4-propan-2-ylphenyl)benzene;1-methyl-4-(4-propan-2-ylphenyl)benzene;5-methyl-2-propan-2-ylpyridine;1-(2-methylpropyl)-4-propan-2-yloxybenzene;1-phenoxy-4-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;3-propan-2-ylpyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine
SMILESC.C.C.C.C.C.C.C.CC(C)Cc1ccc(C(C)(F)F)nc1.CC(C)Cc1ccc(OC(C)C)cc1.CC(C)c1ccc(-c2ccccc2)cc1.CC(C)c1ccc(C(F)(F)F)nc1.CC(C)c1ccc(Oc2ccccc2)cc1.CC(C)c1cccc(-c2ccccc2)c1.CC(C)c1cccc(Cc2ccccc2)c1.CC(C)c1cccnc1.CC(C)c1cnc(C(C)(F)F)cn1.CC(C)c1cnc(C(C)(F)F)nc1.CC(F)Oc1ccc(C(C)C)cn1.COc1cc(Cl)cc(CC(C)C)c1.COc1ccc(-c2cccc(C(C)C)c2)cc1.Cc1ccc(-c2ccc(C(C)C)cc2)cc1.Cc1ccc(C(C)C)nc1.Cc1ccc(CCC(C)C)cc1Cl.Cc1ccc(CCC(C)C)cn1.Cc1cccc(-c2ccc(C(C)C)cc2)c1.Cc1cccc(-c2cccc(C(C)C)c2)c1
InChIInChI=1S/C16H18O.4C16H18.C15H16O.2C15H16.C13H20O.C12H17Cl.C11H15ClO.C11H15F2N.C11H17N.C10H14FNO.C9H10F3N.2C9H12F2N2.C9H13N.C8H11N.8CH4/c1-12(2)14-5-4-6-15(11-14)13-7-9-16(17-3)10-8-13;1-12(2)14-8-10-16(11-9-14)15-6-4-13(3)5-7-15;1-12(2)14-7-5-9-16(11-14)15-8-4-6-13(3)10-15;1-12(2)14-7-9-15(10-8-14)16-6-4-5-13(3)11-16;1-13(2)16-10-6-9-15(12-16)11-14-7-4-3-5-8-14;1-12(2)13-8-10-15(11-9-13)16-14-6-4-3-5-7-14;1-12(2)14-9-6-10-15(11-14)13-7-4-3-5-8-13;1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;1-10(2)9-12-5-7-13(8-6-12)14-11(3)4;1-9(2)4-6-11-7-5-10(3)12(13)8-11;1-8(2)4-9-5-10(12)7-11(6-9)13-3;1-8(2)6-9-4-5-10(14-7-9)11(3,12)13;1-9(2)4-6-11-7-5-10(3)12-8-11;1-7(2)9-4-5-10(12-6-9)13-8(3)11;1-6(2)7-3-4-8(13-5-7)9(10,11)12;1-6(2)7-4-13-8(5-12-7)9(3,10)11;1-6(2)7-4-12-8(13-5-7)9(3,10)11;1-7(2)9-5-4-8(3)6-10-9;1-7(2)8-4-3-5-9-6-8;;;;;;;;/h4-12H,1-3H3;3*4-12H,1-3H3;3-10,12-13H,11H2,1-2H3;3-12H,1-2H3;2*3-12H,1-2H3;5-8,10-11H,9H2,1-4H3;5,7-9H,4,6H2,1-3H3;5-8H,4H2,1-3H3;4-5,7-8H,6H2,1-3H3;5,7-9H,4,6H2,1-3H3;4-8H,1-3H3;3-6H,1-2H3;2*4-6H,1-3H3;4-7H,1-3H3;3-7H,1-2H3;8*1H4
InChIKeyVTODJRDNLAJLIF-UHFFFAOYSA-N
MW3752.25 g/mol
LogP75.98
Rot. Bonds45

About 1-benzyl-3-propan-2-ylbenzene;1-chloro-3-methoxy-5-(2-methylpropyl)benzene;2-chloro-1-methyl-4-(3-methylbutyl)benzene;2-(1,1-difluoroethyl)-5-(2-methylpropyl)pyridine;2-(1,1-difluoroethyl)-5-propan-2-ylpyrazine;2-(1,1-difluoroethyl)-5-propan-2-ylpyrimidine;2-(1-fluoroethoxy)-5-propan-2-ylpyridine;methane;1-methoxy-4-(3-propan-2-ylphenyl)benzene;2-methyl-5-(3-methylbutyl)pyridine;1-methyl-3-(3-propan-2-ylphenyl)benzene;1-methyl-3-(4-propan-2-ylphenyl)benzene;1-methyl-4-(4-propan-2-ylphenyl)benzene;5-methyl-2-propan-2-ylpyridine;1-(2-methylpropyl)-4-propan-2-yloxybenzene;1-phenoxy-4-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;3-propan-2-ylpyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine

1-benzyl-3-propan-2-ylbenzene;1-chloro-3-methoxy-5-(2-methylpropyl)benzene;2-chloro-1-methyl-4-(3-methylbutyl)benzene;2-(1,1-difluoroethyl)-5-(2-methylpropyl)pyridine;2-(1,1-difluoroethyl)-5-propan-2-ylpyrazine;2-(1,1-difluoroethyl)-5-propan-2-ylpyrimidine;2-(1-fluoroethoxy)-5-propan-2-ylpyridine;methane;1-methoxy-4-(3-propan-2-ylphenyl)benzene;2-methyl-5-(3-methylbutyl)pyridine;1-methyl-3-(3-propan-2-ylphenyl)benzene;1-methyl-3-(4-propan-2-ylphenyl)benzene;1-methyl-4-(4-propan-2-ylphenyl)benzene;5-methyl-2-propan-2-ylpyridine;1-(2-methylpropyl)-4-propan-2-yloxybenzene;1-phenoxy-4-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;3-propan-2-ylpyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine (PubChem CID 167682661) has the molecular formula C245H326Cl2F10N10O5 and a molecular weight of 3752.25 g/mol. Its IUPAC name is 1-benzyl-3-propan-2-ylbenzene;1-chloro-3-methoxy-5-(2-methylpropyl)benzene;2-chloro-1-methyl-4-(3-methylbutyl)benzene;2-(1,1-difluoroethyl)-5-(2-methylpropyl)pyridine;2-(1,1-difluoroethyl)-5-propan-2-ylpyrazine;2-(1,1-difluoroethyl)-5-propan-2-ylpyrimidine;2-(1-fluoroethoxy)-5-propan-2-ylpyridine;methane;1-methoxy-4-(3-propan-2-ylphenyl)benzene;2-methyl-5-(3-methylbutyl)pyridine;1-methyl-3-(3-propan-2-ylphenyl)benzene;1-methyl-3-(4-propan-2-ylphenyl)benzene;1-methyl-4-(4-propan-2-ylphenyl)benzene;5-methyl-2-propan-2-ylpyridine;1-(2-methylpropyl)-4-propan-2-yloxybenzene;1-phenoxy-4-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;3-propan-2-ylpyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name1-benzyl-3-propan-2-ylbenzene;1-chloro-3-methoxy-5-(2-methylpropyl)benzene;2-chloro-1-methyl-4-(3-methylbutyl)benzene;2-(1,1-difluoroethyl)-5-(2-methylpropyl)pyridine;2-(1,1-difluoroethyl)-5-propan-2-ylpyrazine;2-(1,1-difluoroethyl)-5-propan-2-ylpyrimidine;2-(1-fluoroethoxy)-5-propan-2-ylpyridine;methane;1-methoxy-4-(3-propan-2-ylphenyl)benzene;2-methyl-5-(3-methylbutyl)pyridine;1-methyl-3-(3-propan-2-ylphenyl)benzene;1-methyl-3-(4-propan-2-ylphenyl)benzene;1-methyl-4-(4-propan-2-ylphenyl)benzene;5-methyl-2-propan-2-ylpyridine;1-(2-methylpropyl)-4-propan-2-yloxybenzene;1-phenoxy-4-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;3-propan-2-ylpyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine
PubChem CID167682661
Molecular FormulaC245H326Cl2F10N10O5
Molecular Weight3752.25 g/mol
Exact Mass3748.48
IUPAC Name1-benzyl-3-propan-2-ylbenzene;1-chloro-3-methoxy-5-(2-methylpropyl)benzene;2-chloro-1-methyl-4-(3-methylbutyl)benzene;2-(1,1-difluoroethyl)-5-(2-methylpropyl)pyridine;2-(1,1-difluoroethyl)-5-propan-2-ylpyrazine;2-(1,1-difluoroethyl)-5-propan-2-ylpyrimidine;2-(1-fluoroethoxy)-5-propan-2-ylpyridine;methane;1-methoxy-4-(3-propan-2-ylphenyl)benzene;2-methyl-5-(3-methylbutyl)pyridine;1-methyl-3-(3-propan-2-ylphenyl)benzene;1-methyl-3-(4-propan-2-ylphenyl)benzene;1-methyl-4-(4-propan-2-ylphenyl)benzene;5-methyl-2-propan-2-ylpyridine;1-(2-methylpropyl)-4-propan-2-yloxybenzene;1-phenoxy-4-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;3-propan-2-ylpyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine
SMILESC.C.C.C.C.C.C.C.CC(C)Cc1ccc(C(C)(F)F)nc1.CC(C)Cc1ccc(OC(C)C)cc1.CC(C)c1ccc(-c2ccccc2)cc1.CC(C)c1ccc(C(F)(F)F)nc1.CC(C)c1ccc(Oc2ccccc2)cc1.CC(C)c1cccc(-c2ccccc2)c1.CC(C)c1cccc(Cc2ccccc2)c1.CC(C)c1cccnc1.CC(C)c1cnc(C(C)(F)F)cn1.CC(C)c1cnc(C(C)(F)F)nc1.CC(F)Oc1ccc(C(C)C)cn1.COc1cc(Cl)cc(CC(C)C)c1.COc1ccc(-c2cccc(C(C)C)c2)cc1.Cc1ccc(-c2ccc(C(C)C)cc2)cc1.Cc1ccc(C(C)C)nc1.Cc1ccc(CCC(C)C)cc1Cl.Cc1ccc(CCC(C)C)cn1.Cc1cccc(-c2ccc(C(C)C)cc2)c1.Cc1cccc(-c2cccc(C(C)C)c2)c1
InChIInChI=1S/C16H18O.4C16H18.C15H16O.2C15H16.C13H20O.C12H17Cl.C11H15ClO.C11H15F2N.C11H17N.C10H14FNO.C9H10F3N.2C9H12F2N2.C9H13N.C8H11N.8CH4/c1-12(2)14-5-4-6-15(11-14)13-7-9-16(17-3)10-8-13;1-12(2)14-8-10-16(11-9-14)15-6-4-13(3)5-7-15;1-12(2)14-7-5-9-16(11-14)15-8-4-6-13(3)10-15;1-12(2)14-7-9-15(10-8-14)16-6-4-5-13(3)11-16;1-13(2)16-10-6-9-15(12-16)11-14-7-4-3-5-8-14;1-12(2)13-8-10-15(11-9-13)16-14-6-4-3-5-7-14;1-12(2)14-9-6-10-15(11-14)13-7-4-3-5-8-13;1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;1-10(2)9-12-5-7-13(8-6-12)14-11(3)4;1-9(2)4-6-11-7-5-10(3)12(13)8-11;1-8(2)4-9-5-10(12)7-11(6-9)13-3;1-8(2)6-9-4-5-10(14-7-9)11(3,12)13;1-9(2)4-6-11-7-5-10(3)12-8-11;1-7(2)9-4-5-10(12-6-9)13-8(3)11;1-6(2)7-3-4-8(13-5-7)9(10,11)12;1-6(2)7-4-13-8(5-12-7)9(3,10)11;1-6(2)7-4-12-8(13-5-7)9(3,10)11;1-7(2)9-5-4-8(3)6-10-9;1-7(2)8-4-3-5-9-6-8;;;;;;;;/h4-12H,1-3H3;3*4-12H,1-3H3;3-10,12-13H,11H2,1-2H3;3-12H,1-2H3;2*3-12H,1-2H3;5-8,10-11H,9H2,1-4H3;5,7-9H,4,6H2,1-3H3;5-8H,4H2,1-3H3;4-5,7-8H,6H2,1-3H3;5,7-9H,4,6H2,1-3H3;4-8H,1-3H3;3-6H,1-2H3;2*4-6H,1-3H3;4-7H,1-3H3;3-7H,1-2H3;8*1H4
InChIKeyVTODJRDNLAJLIF-UHFFFAOYSA-N
XLogP75.98
TPSA175.05 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds45
Heavy Atoms272
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003752.25
LogP ≤ 575.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 1-benzyl-3-propan-2-ylbenzene;1-chloro-3-methoxy-5-(2-methylpropyl)benzene;2-chloro-1-methyl-4-(3-methylbutyl)benzene;2-(1,1-difluoroethyl)-5-(2-methylpropyl)pyridine;2-(1,1-difluoroethyl)-5-propan-2-ylpyrazine;2-(1,1-difluoroethyl)-5-propan-2-ylpyrimidine;2-(1-fluoroethoxy)-5-propan-2-ylpyridine;methane;1-methoxy-4-(3-propan-2-ylphenyl)benzene;2-methyl-5-(3-methylbutyl)pyridine;1-methyl-3-(3-propan-2-ylphenyl)benzene;1-methyl-3-(4-propan-2-ylphenyl)benzene;1-methyl-4-(4-propan-2-ylphenyl)benzene;5-methyl-2-propan-2-ylpyridine;1-(2-methylpropyl)-4-propan-2-yloxybenzene;1-phenoxy-4-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;3-propan-2-ylpyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-propan-2-ylbenzene;1-chloro-3-methoxy-5-(2-methylpropyl)benzene;2-chloro-1-methyl-4-(3-methylbutyl)benzene;2-(1,1-difluoroethyl)-5-(2-methylpropyl)pyridine;2-(1,1-difluoroethyl)-5-propan-2-ylpyrazine;2-(1,1-difluoroethyl)-5-propan-2-ylpyrimidine;2-(1-fluoroethoxy)-5-propan-2-ylpyridine;methane;1-methoxy-4-(3-propan-2-ylphenyl)benzene;2-methyl-5-(3-methylbutyl)pyridine;1-methyl-3-(3-propan-2-ylphenyl)benzene;1-methyl-3-(4-propan-2-ylphenyl)benzene;1-methyl-4-(4-propan-2-ylphenyl)benzene;5-methyl-2-propan-2-ylpyridine;1-(2-methylpropyl)-4-propan-2-yloxybenzene;1-phenoxy-4-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;3-propan-2-ylpyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine?
The IUPAC name of 1-benzyl-3-propan-2-ylbenzene;1-chloro-3-methoxy-5-(2-methylpropyl)benzene;2-chloro-1-methyl-4-(3-methylbutyl)benzene;2-(1,1-difluoroethyl)-5-(2-methylpropyl)pyridine;2-(1,1-difluoroethyl)-5-propan-2-ylpyrazine;2-(1,1-difluoroethyl)-5-propan-2-ylpyrimidine;2-(1-fluoroethoxy)-5-propan-2-ylpyridine;methane;1-methoxy-4-(3-propan-2-ylphenyl)benzene;2-methyl-5-(3-methylbutyl)pyridine;1-methyl-3-(3-propan-2-ylphenyl)benzene;1-methyl-3-(4-propan-2-ylphenyl)benzene;1-methyl-4-(4-propan-2-ylphenyl)benzene;5-methyl-2-propan-2-ylpyridine;1-(2-methylpropyl)-4-propan-2-yloxybenzene;1-phenoxy-4-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;3-propan-2-ylpyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine (CID 167682661) is 1-benzyl-3-propan-2-ylbenzene;1-chloro-3-methoxy-5-(2-methylpropyl)benzene;2-chloro-1-methyl-4-(3-methylbutyl)benzene;2-(1,1-difluoroethyl)-5-(2-methylpropyl)pyridine;2-(1,1-difluoroethyl)-5-propan-2-ylpyrazine;2-(1,1-difluoroethyl)-5-propan-2-ylpyrimidine;2-(1-fluoroethoxy)-5-propan-2-ylpyridine;methane;1-methoxy-4-(3-propan-2-ylphenyl)benzene;2-methyl-5-(3-methylbutyl)pyridine;1-methyl-3-(3-propan-2-ylphenyl)benzene;1-methyl-3-(4-propan-2-ylphenyl)benzene;1-methyl-4-(4-propan-2-ylphenyl)benzene;5-methyl-2-propan-2-ylpyridine;1-(2-methylpropyl)-4-propan-2-yloxybenzene;1-phenoxy-4-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;3-propan-2-ylpyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 1-benzyl-3-propan-2-ylbenzene;1-chloro-3-methoxy-5-(2-methylpropyl)benzene;2-chloro-1-methyl-4-(3-methylbutyl)benzene;2-(1,1-difluoroethyl)-5-(2-methylpropyl)pyridine;2-(1,1-difluoroethyl)-5-propan-2-ylpyrazine;2-(1,1-difluoroethyl)-5-propan-2-ylpyrimidine;2-(1-fluoroethoxy)-5-propan-2-ylpyridine;methane;1-methoxy-4-(3-propan-2-ylphenyl)benzene;2-methyl-5-(3-methylbutyl)pyridine;1-methyl-3-(3-propan-2-ylphenyl)benzene;1-methyl-3-(4-propan-2-ylphenyl)benzene;1-methyl-4-(4-propan-2-ylphenyl)benzene;5-methyl-2-propan-2-ylpyridine;1-(2-methylpropyl)-4-propan-2-yloxybenzene;1-phenoxy-4-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;3-propan-2-ylpyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine?
The canonical SMILES for 1-benzyl-3-propan-2-ylbenzene;1-chloro-3-methoxy-5-(2-methylpropyl)benzene;2-chloro-1-methyl-4-(3-methylbutyl)benzene;2-(1,1-difluoroethyl)-5-(2-methylpropyl)pyridine;2-(1,1-difluoroethyl)-5-propan-2-ylpyrazine;2-(1,1-difluoroethyl)-5-propan-2-ylpyrimidine;2-(1-fluoroethoxy)-5-propan-2-ylpyridine;methane;1-methoxy-4-(3-propan-2-ylphenyl)benzene;2-methyl-5-(3-methylbutyl)pyridine;1-methyl-3-(3-propan-2-ylphenyl)benzene;1-methyl-3-(4-propan-2-ylphenyl)benzene;1-methyl-4-(4-propan-2-ylphenyl)benzene;5-methyl-2-propan-2-ylpyridine;1-(2-methylpropyl)-4-propan-2-yloxybenzene;1-phenoxy-4-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;3-propan-2-ylpyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine is C.C.C.C.C.C.C.C.CC(C)Cc1ccc(C(C)(F)F)nc1.CC(C)Cc1ccc(OC(C)C)cc1.CC(C)c1ccc(-c2ccccc2)cc1.CC(C)c1ccc(C(F)(F)F)nc1.CC(C)c1ccc(Oc2ccccc2)cc1.CC(C)c1cccc(-c2ccccc2)c1.CC(C)c1cccc(Cc2ccccc2)c1.CC(C)c1cccnc1.CC(C)c1cnc(C(C)(F)F)cn1.CC(C)c1cnc(C(C)(F)F)nc1.CC(F)Oc1ccc(C(C)C)cn1.COc1cc(Cl)cc(CC(C)C)c1.COc1ccc(-c2cccc(C(C)C)c2)cc1.Cc1ccc(-c2ccc(C(C)C)cc2)cc1.Cc1ccc(C(C)C)nc1.Cc1ccc(CCC(C)C)cc1Cl.Cc1ccc(CCC(C)C)cn1.Cc1cccc(-c2ccc(C(C)C)cc2)c1.Cc1cccc(-c2cccc(C(C)C)c2)c1.
What is the InChIKey of 1-benzyl-3-propan-2-ylbenzene;1-chloro-3-methoxy-5-(2-methylpropyl)benzene;2-chloro-1-methyl-4-(3-methylbutyl)benzene;2-(1,1-difluoroethyl)-5-(2-methylpropyl)pyridine;2-(1,1-difluoroethyl)-5-propan-2-ylpyrazine;2-(1,1-difluoroethyl)-5-propan-2-ylpyrimidine;2-(1-fluoroethoxy)-5-propan-2-ylpyridine;methane;1-methoxy-4-(3-propan-2-ylphenyl)benzene;2-methyl-5-(3-methylbutyl)pyridine;1-methyl-3-(3-propan-2-ylphenyl)benzene;1-methyl-3-(4-propan-2-ylphenyl)benzene;1-methyl-4-(4-propan-2-ylphenyl)benzene;5-methyl-2-propan-2-ylpyridine;1-(2-methylpropyl)-4-propan-2-yloxybenzene;1-phenoxy-4-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;3-propan-2-ylpyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine?
The InChIKey is VTODJRDNLAJLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O.4C16H18.C15H16O.2C15H16.C13H20O.C12H17Cl.C11H15ClO.C11H15F2N.C11H17N.C10H14FNO.C9H10F3N.2C9H12F2N2.C9H13N.C8H11N.8CH4/c1-12(2)14-5-4-6-15(11-14)13-7-9-16(17-3)10-8-13;1-12(2)14-8-10-16(11-9-14)15-6-4-13(3)5-7-15;1-12(2)14-7-5-9-16(11-14)15-8-4-6-13(3)10-15;1-12(2)14-7-9-15(10-8-14)16-6-4-5-13(3)11-16;1-13(2)16-10-6-9-15(12-16)11-14-7-4-3-5-8-14;1-12(2)13-8-10-15(11-9-13)16-14-6-4-3-5-7-14;1-12(2)14-9-6-10-15(11-14)13-7-4-3-5-8-13;1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;1-10(2)9-12-5-7-13(8-6-12)14-11(3)4;1-9(2)4-6-11-7-5-10(3)12(13)8-11;1-8(2)4-9-5-10(12)7-11(6-9)13-3;1-8(2)6-9-4-5-10(14-7-9)11(3,12)13;1-9(2)4-6-11-7-5-10(3)12-8-11;1-7(2)9-4-5-10(12-6-9)13-8(3)11;1-6(2)7-3-4-8(13-5-7)9(10,11)12;1-6(2)7-4-13-8(5-12-7)9(3,10)11;1-6(2)7-4-12-8(13-5-7)9(3,10)11;1-7(2)9-5-4-8(3)6-10-9;1-7(2)8-4-3-5-9-6-8;;;;;;;;/h4-12H,1-3H3;3*4-12H,1-3H3;3-10,12-13H,11H2,1-2H3;3-12H,1-2H3;2*3-12H,1-2H3;5-8,10-11H,9H2,1-4H3;5,7-9H,4,6H2,1-3H3;5-8H,4H2,1-3H3;4-5,7-8H,6H2,1-3H3;5,7-9H,4,6H2,1-3H3;4-8H,1-3H3;3-6H,1-2H3;2*4-6H,1-3H3;4-7H,1-3H3;3-7H,1-2H3;8*1H4.
What are the key properties of 1-benzyl-3-propan-2-ylbenzene;1-chloro-3-methoxy-5-(2-methylpropyl)benzene;2-chloro-1-methyl-4-(3-methylbutyl)benzene;2-(1,1-difluoroethyl)-5-(2-methylpropyl)pyridine;2-(1,1-difluoroethyl)-5-propan-2-ylpyrazine;2-(1,1-difluoroethyl)-5-propan-2-ylpyrimidine;2-(1-fluoroethoxy)-5-propan-2-ylpyridine;methane;1-methoxy-4-(3-propan-2-ylphenyl)benzene;2-methyl-5-(3-methylbutyl)pyridine;1-methyl-3-(3-propan-2-ylphenyl)benzene;1-methyl-3-(4-propan-2-ylphenyl)benzene;1-methyl-4-(4-propan-2-ylphenyl)benzene;5-methyl-2-propan-2-ylpyridine;1-(2-methylpropyl)-4-propan-2-yloxybenzene;1-phenoxy-4-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;3-propan-2-ylpyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine?
1-benzyl-3-propan-2-ylbenzene;1-chloro-3-methoxy-5-(2-methylpropyl)benzene;2-chloro-1-methyl-4-(3-methylbutyl)benzene;2-(1,1-difluoroethyl)-5-(2-methylpropyl)pyridine;2-(1,1-difluoroethyl)-5-propan-2-ylpyrazine;2-(1,1-difluoroethyl)-5-propan-2-ylpyrimidine;2-(1-fluoroethoxy)-5-propan-2-ylpyridine;methane;1-methoxy-4-(3-propan-2-ylphenyl)benzene;2-methyl-5-(3-methylbutyl)pyridine;1-methyl-3-(3-propan-2-ylphenyl)benzene;1-methyl-3-(4-propan-2-ylphenyl)benzene;1-methyl-4-(4-propan-2-ylphenyl)benzene;5-methyl-2-propan-2-ylpyridine;1-(2-methylpropyl)-4-propan-2-yloxybenzene;1-phenoxy-4-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;3-propan-2-ylpyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine has a molecular weight of 3752.25 g/mol, XLogP of 75.98, 45 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-propan-2-ylbenzene;1-chloro-3-methoxy-5-(2-methylpropyl)benzene;2-chloro-1-methyl-4-(3-methylbutyl)benzene;2-(1,1-difluoroethyl)-5-(2-methylpropyl)pyridine;2-(1,1-difluoroethyl)-5-propan-2-ylpyrazine;2-(1,1-difluoroethyl)-5-propan-2-ylpyrimidine;2-(1-fluoroethoxy)-5-propan-2-ylpyridine;methane;1-methoxy-4-(3-propan-2-ylphenyl)benzene;2-methyl-5-(3-methylbutyl)pyridine;1-methyl-3-(3-propan-2-ylphenyl)benzene;1-methyl-3-(4-propan-2-ylphenyl)benzene;1-methyl-4-(4-propan-2-ylphenyl)benzene;5-methyl-2-propan-2-ylpyridine;1-(2-methylpropyl)-4-propan-2-yloxybenzene;1-phenoxy-4-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;3-propan-2-ylpyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 167682661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).