1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1-chloro-3-(4-methylphenyl)benzene;1-fluoro-2-(4-methylphenyl)benzene;1-fluoro-4-(4-methylphenyl)benzene;1-methoxy-4-(4-methylphenyl)benzene;1-methyl-3-phenylbenzene;2-(4-methylphenyl)pyridine;3-(4-methylphenyl)pyridine

C104H95Cl3F2N2O — CID 159465175

IUPAC1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1-chloro-3-(4-methylphenyl)benzene;1-fluoro-2-(4-methylphenyl)benzene;1-fluoro-4-(4-methylphenyl)benzene;1-methoxy-4-(4-methylphenyl)benzene;1-methyl-3-phenylbenzene;2-(4-methylphenyl)pyridine;3-(4-methylphenyl)pyridine
SMILESCOc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(-c2ccc(F)cc2)cc1.Cc1ccc(-c2cccc(Cl)c2)cc1.Cc1ccc(-c2ccccc2F)cc1.Cc1ccc(-c2ccccn2)cc1.Cc1ccc(-c2cccnc2)cc1.Cc1ccc(Cl)cc1.Cc1cccc(-c2ccccc2)c1.Cc1cccc(Cl)c1
InChIInChI=1S/C14H14O.C13H11Cl.2C13H11F.C13H12.2C12H11N.2C7H7Cl/c1-11-3-5-12(6-4-11)13-7-9-14(15-2)10-8-13;1-10-5-7-11(8-6-10)12-3-2-4-13(14)9-12;1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12;1-10-6-8-11(9-7-10)12-4-2-3-5-13(12)14;1-11-6-5-9-13(10-11)12-7-3-2-4-8-12;1-10-4-6-11(7-5-10)12-3-2-8-13-9-12;1-10-5-7-11(8-6-10)12-4-2-3-9-13-12;1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6/h3-10H,1-2H3;3*2-9H,1H3;2-10H,1H3;2*2-9H,1H3;2*2-5H,1H3
InChIKeyLVBYMNGJGVZFKG-UHFFFAOYSA-N
MW1533.27 g/mol
LogP30.66
Rot. Bonds8

About 1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1-chloro-3-(4-methylphenyl)benzene;1-fluoro-2-(4-methylphenyl)benzene;1-fluoro-4-(4-methylphenyl)benzene;1-methoxy-4-(4-methylphenyl)benzene;1-methyl-3-phenylbenzene;2-(4-methylphenyl)pyridine;3-(4-methylphenyl)pyridine

1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1-chloro-3-(4-methylphenyl)benzene;1-fluoro-2-(4-methylphenyl)benzene;1-fluoro-4-(4-methylphenyl)benzene;1-methoxy-4-(4-methylphenyl)benzene;1-methyl-3-phenylbenzene;2-(4-methylphenyl)pyridine;3-(4-methylphenyl)pyridine (PubChem CID 159465175) has the molecular formula C104H95Cl3F2N2O and a molecular weight of 1533.27 g/mol. Its IUPAC name is 1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1-chloro-3-(4-methylphenyl)benzene;1-fluoro-2-(4-methylphenyl)benzene;1-fluoro-4-(4-methylphenyl)benzene;1-methoxy-4-(4-methylphenyl)benzene;1-methyl-3-phenylbenzene;2-(4-methylphenyl)pyridine;3-(4-methylphenyl)pyridine.

Molecular Properties

Compound Name1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1-chloro-3-(4-methylphenyl)benzene;1-fluoro-2-(4-methylphenyl)benzene;1-fluoro-4-(4-methylphenyl)benzene;1-methoxy-4-(4-methylphenyl)benzene;1-methyl-3-phenylbenzene;2-(4-methylphenyl)pyridine;3-(4-methylphenyl)pyridine
PubChem CID159465175
Molecular FormulaC104H95Cl3F2N2O
Molecular Weight1533.27 g/mol
Exact Mass1530.65
IUPAC Name1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1-chloro-3-(4-methylphenyl)benzene;1-fluoro-2-(4-methylphenyl)benzene;1-fluoro-4-(4-methylphenyl)benzene;1-methoxy-4-(4-methylphenyl)benzene;1-methyl-3-phenylbenzene;2-(4-methylphenyl)pyridine;3-(4-methylphenyl)pyridine
SMILESCOc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(-c2ccc(F)cc2)cc1.Cc1ccc(-c2cccc(Cl)c2)cc1.Cc1ccc(-c2ccccc2F)cc1.Cc1ccc(-c2ccccn2)cc1.Cc1ccc(-c2cccnc2)cc1.Cc1ccc(Cl)cc1.Cc1cccc(-c2ccccc2)c1.Cc1cccc(Cl)c1
InChIInChI=1S/C14H14O.C13H11Cl.2C13H11F.C13H12.2C12H11N.2C7H7Cl/c1-11-3-5-12(6-4-11)13-7-9-14(15-2)10-8-13;1-10-5-7-11(8-6-10)12-3-2-4-13(14)9-12;1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12;1-10-6-8-11(9-7-10)12-4-2-3-5-13(12)14;1-11-6-5-9-13(10-11)12-7-3-2-4-8-12;1-10-4-6-11(7-5-10)12-3-2-8-13-9-12;1-10-5-7-11(8-6-10)12-4-2-3-9-13-12;1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6/h3-10H,1-2H3;3*2-9H,1H3;2-10H,1H3;2*2-9H,1H3;2*2-5H,1H3
InChIKeyLVBYMNGJGVZFKG-UHFFFAOYSA-N
XLogP30.66
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms112
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001533.27
LogP ≤ 530.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1-chloro-3-(4-methylphenyl)benzene;1-fluoro-2-(4-methylphenyl)benzene;1-fluoro-4-(4-methylphenyl)benzene;1-methoxy-4-(4-methylphenyl)benzene;1-methyl-3-phenylbenzene;2-(4-methylphenyl)pyridine;3-(4-methylphenyl)pyridine with MolForge

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Related Compounds

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N-[[4-[3-chloro-4-[2-chloro-3-[5-[[(4,4-difluorocyclohexyl)amino]methyl]-6-methoxy-2-pyridinyl]phenyl]-2-pyridinyl]-2-methoxyphenyl]methyl]-4,4-difluorocyclohexan-1-amine
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2-(4'-(Tert-butyl)-2'-(5-fluoropyridin-2-yl)-4-methoxy-[1,1'-biphenyl]-2-yl)-3-methylpyridine
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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1-chloro-3-(4-methylphenyl)benzene;1-fluoro-2-(4-methylphenyl)benzene;1-fluoro-4-(4-methylphenyl)benzene;1-methoxy-4-(4-methylphenyl)benzene;1-methyl-3-phenylbenzene;2-(4-methylphenyl)pyridine;3-(4-methylphenyl)pyridine?
The IUPAC name of 1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1-chloro-3-(4-methylphenyl)benzene;1-fluoro-2-(4-methylphenyl)benzene;1-fluoro-4-(4-methylphenyl)benzene;1-methoxy-4-(4-methylphenyl)benzene;1-methyl-3-phenylbenzene;2-(4-methylphenyl)pyridine;3-(4-methylphenyl)pyridine (CID 159465175) is 1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1-chloro-3-(4-methylphenyl)benzene;1-fluoro-2-(4-methylphenyl)benzene;1-fluoro-4-(4-methylphenyl)benzene;1-methoxy-4-(4-methylphenyl)benzene;1-methyl-3-phenylbenzene;2-(4-methylphenyl)pyridine;3-(4-methylphenyl)pyridine.
What is the SMILES notation for 1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1-chloro-3-(4-methylphenyl)benzene;1-fluoro-2-(4-methylphenyl)benzene;1-fluoro-4-(4-methylphenyl)benzene;1-methoxy-4-(4-methylphenyl)benzene;1-methyl-3-phenylbenzene;2-(4-methylphenyl)pyridine;3-(4-methylphenyl)pyridine?
The canonical SMILES for 1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1-chloro-3-(4-methylphenyl)benzene;1-fluoro-2-(4-methylphenyl)benzene;1-fluoro-4-(4-methylphenyl)benzene;1-methoxy-4-(4-methylphenyl)benzene;1-methyl-3-phenylbenzene;2-(4-methylphenyl)pyridine;3-(4-methylphenyl)pyridine is COc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(-c2ccc(F)cc2)cc1.Cc1ccc(-c2cccc(Cl)c2)cc1.Cc1ccc(-c2ccccc2F)cc1.Cc1ccc(-c2ccccn2)cc1.Cc1ccc(-c2cccnc2)cc1.Cc1ccc(Cl)cc1.Cc1cccc(-c2ccccc2)c1.Cc1cccc(Cl)c1.
What is the InChIKey of 1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1-chloro-3-(4-methylphenyl)benzene;1-fluoro-2-(4-methylphenyl)benzene;1-fluoro-4-(4-methylphenyl)benzene;1-methoxy-4-(4-methylphenyl)benzene;1-methyl-3-phenylbenzene;2-(4-methylphenyl)pyridine;3-(4-methylphenyl)pyridine?
The InChIKey is LVBYMNGJGVZFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O.C13H11Cl.2C13H11F.C13H12.2C12H11N.2C7H7Cl/c1-11-3-5-12(6-4-11)13-7-9-14(15-2)10-8-13;1-10-5-7-11(8-6-10)12-3-2-4-13(14)9-12;1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12;1-10-6-8-11(9-7-10)12-4-2-3-5-13(12)14;1-11-6-5-9-13(10-11)12-7-3-2-4-8-12;1-10-4-6-11(7-5-10)12-3-2-8-13-9-12;1-10-5-7-11(8-6-10)12-4-2-3-9-13-12;1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6/h3-10H,1-2H3;3*2-9H,1H3;2-10H,1H3;2*2-9H,1H3;2*2-5H,1H3.
What are the key properties of 1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1-chloro-3-(4-methylphenyl)benzene;1-fluoro-2-(4-methylphenyl)benzene;1-fluoro-4-(4-methylphenyl)benzene;1-methoxy-4-(4-methylphenyl)benzene;1-methyl-3-phenylbenzene;2-(4-methylphenyl)pyridine;3-(4-methylphenyl)pyridine?
1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1-chloro-3-(4-methylphenyl)benzene;1-fluoro-2-(4-methylphenyl)benzene;1-fluoro-4-(4-methylphenyl)benzene;1-methoxy-4-(4-methylphenyl)benzene;1-methyl-3-phenylbenzene;2-(4-methylphenyl)pyridine;3-(4-methylphenyl)pyridine has a molecular weight of 1533.27 g/mol, XLogP of 30.66, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1-chloro-3-(4-methylphenyl)benzene;1-fluoro-2-(4-methylphenyl)benzene;1-fluoro-4-(4-methylphenyl)benzene;1-methoxy-4-(4-methylphenyl)benzene;1-methyl-3-phenylbenzene;2-(4-methylphenyl)pyridine;3-(4-methylphenyl)pyridine is sourced from PubChem (CID 159465175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).