2-[4-(hydroxymethyl)-3-methoxyphenyl]benzonitrile

C15H13NO2 — CID 67529038

IUPAC2-[4-(hydroxymethyl)-3-methoxyphenyl]benzonitrile
SMILESCOc1cc(-c2ccccc2C#N)ccc1CO
InChIInChI=1S/C15H13NO2/c1-18-15-8-11(6-7-13(15)10-17)14-5-3-2-4-12(14)9-16/h2-8,17H,10H2,1H3
InChIKeyUHVUSMWIRGIQSH-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.73
Rot. Bonds3

About 2-[4-(hydroxymethyl)-3-methoxyphenyl]benzonitrile

2-[4-(hydroxymethyl)-3-methoxyphenyl]benzonitrile (PubChem CID 67529038) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)-3-methoxyphenyl]benzonitrile.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)-3-methoxyphenyl]benzonitrile
PubChem CID67529038
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name2-[4-(hydroxymethyl)-3-methoxyphenyl]benzonitrile
SMILESCOc1cc(-c2ccccc2C#N)ccc1CO
InChIInChI=1S/C15H13NO2/c1-18-15-8-11(6-7-13(15)10-17)14-5-3-2-4-12(14)9-16/h2-8,17H,10H2,1H3
InChIKeyUHVUSMWIRGIQSH-UHFFFAOYSA-N
XLogP2.73
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(hydroxymethyl)-4-propoxyphenyl]benzonitrile
CID 122558682
[4-[4-(hydroxymethyl)-3-methoxyphenyl]-2-methoxyphenyl] cyanate
CID 155326331
4-(2-methoxyphenyl)benzene-1,2-dicarbonitrile
CID 15889206
[4-(2-cyanophenyl)phenyl]methyl 2-(3-fluoro-4-methoxyphenyl)acetate
CID 46511422
[4-(2-cyanophenyl)phenyl]methyl 2,3,4-trimethoxybenzoate
CID 30290785
[4-(2-cyanophenyl)phenyl]methyl 2-(2-methoxyphenoxy)acetate
CID 31118216
4-[[2-(hydroxymethyl)phenoxy]methyl]-2-methoxybenzonitrile
CID 106788619
2-[[4-[3-[3-[4-(hydroxymethyl)-3-methoxyphenyl]-2-methylphenyl]-2-methylphenyl]-2-methoxyphenyl]methylamino]propane-1,3-diol
CID 164625347
2-(2-methoxy-4-methylphenyl)benzonitrile
CID 19389898
2-[4-(2,3-difluorophenyl)-2-methoxyphenyl]acetonitrile
CID 175670200
6-(hydroxymethyl)-7-methoxyquinoline-4-carbonitrile
CID 59756891
methyl 2-cyano-4-(hydroxymethyl)-5-methoxybenzoate
CID 134647481

Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)-3-methoxyphenyl]benzonitrile?
The IUPAC name of 2-[4-(hydroxymethyl)-3-methoxyphenyl]benzonitrile (CID 67529038) is 2-[4-(hydroxymethyl)-3-methoxyphenyl]benzonitrile.
What is the SMILES notation for 2-[4-(hydroxymethyl)-3-methoxyphenyl]benzonitrile?
The canonical SMILES for 2-[4-(hydroxymethyl)-3-methoxyphenyl]benzonitrile is COc1cc(-c2ccccc2C#N)ccc1CO.
What is the InChIKey of 2-[4-(hydroxymethyl)-3-methoxyphenyl]benzonitrile?
The InChIKey is UHVUSMWIRGIQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c1-18-15-8-11(6-7-13(15)10-17)14-5-3-2-4-12(14)9-16/h2-8,17H,10H2,1H3.
What are the key properties of 2-[4-(hydroxymethyl)-3-methoxyphenyl]benzonitrile?
2-[4-(hydroxymethyl)-3-methoxyphenyl]benzonitrile has a molecular weight of 239.27 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)-3-methoxyphenyl]benzonitrile is sourced from PubChem (CID 67529038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).