2-[4-(4-methoxy-3-methylphenyl)phenyl]acetonitrile

C16H15NO — CID 82044296

IUPAC2-[4-(4-methoxy-3-methylphenyl)phenyl]acetonitrile
SMILESCOc1ccc(-c2ccc(CC#N)cc2)cc1C
InChIInChI=1S/C16H15NO/c1-12-11-15(7-8-16(12)18-2)14-5-3-13(4-6-14)9-10-17/h3-8,11H,9H2,1-2H3
InChIKeyOAKPZUMZDQQAFB-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.74
Rot. Bonds3

About 2-[4-(4-methoxy-3-methylphenyl)phenyl]acetonitrile

2-[4-(4-methoxy-3-methylphenyl)phenyl]acetonitrile (PubChem CID 82044296) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-[4-(4-methoxy-3-methylphenyl)phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-(4-methoxy-3-methylphenyl)phenyl]acetonitrile
PubChem CID82044296
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name2-[4-(4-methoxy-3-methylphenyl)phenyl]acetonitrile
SMILESCOc1ccc(-c2ccc(CC#N)cc2)cc1C
InChIInChI=1S/C16H15NO/c1-12-11-15(7-8-16(12)18-2)14-5-3-13(4-6-14)9-10-17/h3-8,11H,9H2,1-2H3
InChIKeyOAKPZUMZDQQAFB-UHFFFAOYSA-N
XLogP3.74
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methane;1-methoxy-4-(4-methoxy-3-methylphenyl)-2-methylbenzene
CID 161175155
N-[[4-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-1-amine
CID 61033548
5-(4-methoxy-3-methylphenyl)pentanenitrile
CID 96657164
4-(4-methoxy-3-methylphenyl)benzaldehyde;[4-(4-methoxy-3-methylphenyl)phenyl]methanol
CID 159042728
1-[3-(4-methoxy-3-methylphenyl)phenyl]-N-methylmethanamine
CID 61034321
2-[6-(4-methoxy-3-methylphenyl)-2-oxo-1-propan-2-yl-3-pyridinyl]acetonitrile
CID 82517316
2-[2-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 39127534
2-(4-chloro-3-methoxy-5-methylphenyl)acetonitrile
CID 84773818
2-[4-(difluoromethoxy)-3-methoxyphenyl]acetonitrile
CID 4962241
2-(4-ethenoxy-3-methoxyphenyl)acetonitrile
CID 123266381
(4-methoxy-3-methylphenyl)methylphosphane
CID 89138390
2-(4-methoxy-3,5-dimethylphenyl)acetonitrile
CID 45091198

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxy-3-methylphenyl)phenyl]acetonitrile?
The IUPAC name of 2-[4-(4-methoxy-3-methylphenyl)phenyl]acetonitrile (CID 82044296) is 2-[4-(4-methoxy-3-methylphenyl)phenyl]acetonitrile.
What is the SMILES notation for 2-[4-(4-methoxy-3-methylphenyl)phenyl]acetonitrile?
The canonical SMILES for 2-[4-(4-methoxy-3-methylphenyl)phenyl]acetonitrile is COc1ccc(-c2ccc(CC#N)cc2)cc1C.
What is the InChIKey of 2-[4-(4-methoxy-3-methylphenyl)phenyl]acetonitrile?
The InChIKey is OAKPZUMZDQQAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c1-12-11-15(7-8-16(12)18-2)14-5-3-13(4-6-14)9-10-17/h3-8,11H,9H2,1-2H3.
What are the key properties of 2-[4-(4-methoxy-3-methylphenyl)phenyl]acetonitrile?
2-[4-(4-methoxy-3-methylphenyl)phenyl]acetonitrile has a molecular weight of 237.30 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxy-3-methylphenyl)phenyl]acetonitrile is sourced from PubChem (CID 82044296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).