4-phenylmethoxynaphthalene-1-carbonitrile

C18H13NO — CID 23318695

IUPAC4-phenylmethoxynaphthalene-1-carbonitrile
SMILESN#Cc1ccc(OCc2ccccc2)c2ccccc12
InChIInChI=1S/C18H13NO/c19-12-15-10-11-18(17-9-5-4-8-16(15)17)20-13-14-6-2-1-3-7-14/h1-11H,13H2
InChIKeyOYSZCVFYOWTMFI-UHFFFAOYSA-N
MW259.31 g/mol
LogP4.29
Rot. Bonds3

About 4-phenylmethoxynaphthalene-1-carbonitrile

4-phenylmethoxynaphthalene-1-carbonitrile (PubChem CID 23318695) has the molecular formula C18H13NO and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-phenylmethoxynaphthalene-1-carbonitrile.

Molecular Properties

Compound Name4-phenylmethoxynaphthalene-1-carbonitrile
PubChem CID23318695
Molecular FormulaC18H13NO
Molecular Weight259.31 g/mol
Exact Mass259.10
IUPAC Name4-phenylmethoxynaphthalene-1-carbonitrile
SMILESN#Cc1ccc(OCc2ccccc2)c2ccccc12
InChIInChI=1S/C18H13NO/c19-12-15-10-11-18(17-9-5-4-8-16(15)17)20-13-14-6-2-1-3-7-14/h1-11H,13H2
InChIKeyOYSZCVFYOWTMFI-UHFFFAOYSA-N
XLogP4.29
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-phenylmethoxynaphthalene-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

Related Compounds

3-phenylmethoxynaphthalene-2-carbonitrile
CID 86260131
2-methyl-4-phenylmethoxy-1H-indole-7-carbonitrile
CID 174993082
2-phenylmethoxybenzonitrile;propane
CID 142369146
4-(aminomethyl)-2-phenylmethoxybenzonitrile
CID 22476142
2-phenylmethoxy-5-pyridin-4-ylbenzonitrile
CID 69398181
4-(2-cyclopropylethoxy)naphthalene-1-carbonitrile
CID 106201503
1,2-bis(phenylmethoxy)naphthalene
CID 67710722
3-amino-4-phenyl-2-phenylmethoxybenzonitrile
CID 91072993
4-(3-methylbut-3-enoxy)naphthalene-1-carbonitrile
CID 114088515
4-nitro-2-phenylmethoxybenzonitrile
CID 11780048
4-(3-chloroprop-1-enyl)-2-phenylmethoxybenzonitrile
CID 169478283
4-(4-oxobut-1-enyl)-2-phenylmethoxybenzonitrile
CID 170482858

Frequently Asked Questions

What is the IUPAC name of 4-phenylmethoxynaphthalene-1-carbonitrile?
The IUPAC name of 4-phenylmethoxynaphthalene-1-carbonitrile (CID 23318695) is 4-phenylmethoxynaphthalene-1-carbonitrile.
What is the SMILES notation for 4-phenylmethoxynaphthalene-1-carbonitrile?
The canonical SMILES for 4-phenylmethoxynaphthalene-1-carbonitrile is N#Cc1ccc(OCc2ccccc2)c2ccccc12.
What is the InChIKey of 4-phenylmethoxynaphthalene-1-carbonitrile?
The InChIKey is OYSZCVFYOWTMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO/c19-12-15-10-11-18(17-9-5-4-8-16(15)17)20-13-14-6-2-1-3-7-14/h1-11H,13H2.
What are the key properties of 4-phenylmethoxynaphthalene-1-carbonitrile?
4-phenylmethoxynaphthalene-1-carbonitrile has a molecular weight of 259.31 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylmethoxynaphthalene-1-carbonitrile is sourced from PubChem (CID 23318695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).