2-[(4-hydroxy-3-methylphenyl)methyl]naphthalene-1-carbonitrile

C19H15NO — CID 15422657

IUPAC2-[(4-hydroxy-3-methylphenyl)methyl]naphthalene-1-carbonitrile
SMILESCc1cc(Cc2ccc3ccccc3c2C#N)ccc1O
InChIInChI=1S/C19H15NO/c1-13-10-14(6-9-19(13)21)11-16-8-7-15-4-2-3-5-17(15)18(16)12-20/h2-10,21H,11H2,1H3
InChIKeyTWKAPEKTVVOVGQ-UHFFFAOYSA-N
MW273.34 g/mol
LogP4.32
Rot. Bonds2

About 2-[(4-hydroxy-3-methylphenyl)methyl]naphthalene-1-carbonitrile

2-[(4-hydroxy-3-methylphenyl)methyl]naphthalene-1-carbonitrile (PubChem CID 15422657) has the molecular formula C19H15NO and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[(4-hydroxy-3-methylphenyl)methyl]naphthalene-1-carbonitrile.

Molecular Properties

Compound Name2-[(4-hydroxy-3-methylphenyl)methyl]naphthalene-1-carbonitrile
PubChem CID15422657
Molecular FormulaC19H15NO
Molecular Weight273.34 g/mol
Exact Mass273.12
IUPAC Name2-[(4-hydroxy-3-methylphenyl)methyl]naphthalene-1-carbonitrile
SMILESCc1cc(Cc2ccc3ccccc3c2C#N)ccc1O
InChIInChI=1S/C19H15NO/c1-13-10-14(6-9-19(13)21)11-16-8-7-15-4-2-3-5-17(15)18(16)12-20/h2-10,21H,11H2,1H3
InChIKeyTWKAPEKTVVOVGQ-UHFFFAOYSA-N
XLogP4.32
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(4-hydroxy-3-methylphenyl)methyl]naphthalene-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxy-3-methylphenyl)methyl]naphthalene-1-carbonitrile?
The IUPAC name of 2-[(4-hydroxy-3-methylphenyl)methyl]naphthalene-1-carbonitrile (CID 15422657) is 2-[(4-hydroxy-3-methylphenyl)methyl]naphthalene-1-carbonitrile.
What is the SMILES notation for 2-[(4-hydroxy-3-methylphenyl)methyl]naphthalene-1-carbonitrile?
The canonical SMILES for 2-[(4-hydroxy-3-methylphenyl)methyl]naphthalene-1-carbonitrile is Cc1cc(Cc2ccc3ccccc3c2C#N)ccc1O.
What is the InChIKey of 2-[(4-hydroxy-3-methylphenyl)methyl]naphthalene-1-carbonitrile?
The InChIKey is TWKAPEKTVVOVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO/c1-13-10-14(6-9-19(13)21)11-16-8-7-15-4-2-3-5-17(15)18(16)12-20/h2-10,21H,11H2,1H3.
What are the key properties of 2-[(4-hydroxy-3-methylphenyl)methyl]naphthalene-1-carbonitrile?
2-[(4-hydroxy-3-methylphenyl)methyl]naphthalene-1-carbonitrile has a molecular weight of 273.34 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxy-3-methylphenyl)methyl]naphthalene-1-carbonitrile is sourced from PubChem (CID 15422657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).