3-[hydroxy-(2-methoxyphenyl)methyl]benzonitrile

C15H13NO2 — CID 115481118

IUPAC3-[hydroxy-(2-methoxyphenyl)methyl]benzonitrile
SMILESCOc1ccccc1C(O)c1cccc(C#N)c1
InChIInChI=1S/C15H13NO2/c1-18-14-8-3-2-7-13(14)15(17)12-6-4-5-11(9-12)10-16/h2-9,15,17H,1H3
InChIKeyWPLNZOLGWMRGQY-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.65
Rot. Bonds3

About 3-[hydroxy-(2-methoxyphenyl)methyl]benzonitrile

3-[hydroxy-(2-methoxyphenyl)methyl]benzonitrile (PubChem CID 115481118) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 3-[hydroxy-(2-methoxyphenyl)methyl]benzonitrile.

Molecular Properties

Compound Name3-[hydroxy-(2-methoxyphenyl)methyl]benzonitrile
PubChem CID115481118
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name3-[hydroxy-(2-methoxyphenyl)methyl]benzonitrile
SMILESCOc1ccccc1C(O)c1cccc(C#N)c1
InChIInChI=1S/C15H13NO2/c1-18-14-8-3-2-7-13(14)15(17)12-6-4-5-11(9-12)10-16/h2-9,15,17H,1H3
InChIKeyWPLNZOLGWMRGQY-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[hydroxy(phenyl)methyl]benzonitrile
CID 19003636
3-[1-hydroxy-2-(2-methoxyphenyl)ethyl]benzonitrile
CID 115481188
3-[(R)-hydroxy(naphthalen-1-yl)methyl]benzonitrile
CID 102032186
3-[hydroxy-(4-methoxy-1-methylpyrazol-5-yl)methyl]benzonitrile
CID 114637573
3-[(1-ethyl-4-methoxypyrazol-5-yl)-hydroxymethyl]benzonitrile
CID 114637583
4-[(3,4-dichlorophenyl)-hydroxymethyl]-3-methoxybenzonitrile
CID 58046334
3-[(R)-(4-chlorophenyl)-hydroxymethyl]benzonitrile
CID 102158004
4-[hydroxy-(2-propan-2-yloxyphenyl)methyl]benzonitrile
CID 115480983
3-[(2-fluoro-5-methylphenyl)-hydroxymethyl]benzonitrile
CID 113318876
(2-methoxyphenyl)-(3-propoxyphenyl)methanol
CID 63894602
4-[(3-bromophenyl)-hydroxymethyl]-3-methoxybenzonitrile;4-[(3-bromophenyl)methyl]-3-methoxybenzonitrile
CID 167616676
(2-ethoxyphenyl)-(3-methoxyphenyl)methanol
CID 62801888

Frequently Asked Questions

What is the IUPAC name of 3-[hydroxy-(2-methoxyphenyl)methyl]benzonitrile?
The IUPAC name of 3-[hydroxy-(2-methoxyphenyl)methyl]benzonitrile (CID 115481118) is 3-[hydroxy-(2-methoxyphenyl)methyl]benzonitrile.
What is the SMILES notation for 3-[hydroxy-(2-methoxyphenyl)methyl]benzonitrile?
The canonical SMILES for 3-[hydroxy-(2-methoxyphenyl)methyl]benzonitrile is COc1ccccc1C(O)c1cccc(C#N)c1.
What is the InChIKey of 3-[hydroxy-(2-methoxyphenyl)methyl]benzonitrile?
The InChIKey is WPLNZOLGWMRGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c1-18-14-8-3-2-7-13(14)15(17)12-6-4-5-11(9-12)10-16/h2-9,15,17H,1H3.
What are the key properties of 3-[hydroxy-(2-methoxyphenyl)methyl]benzonitrile?
3-[hydroxy-(2-methoxyphenyl)methyl]benzonitrile has a molecular weight of 239.27 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[hydroxy-(2-methoxyphenyl)methyl]benzonitrile is sourced from PubChem (CID 115481118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).