2-(2-methylnaphthalen-1-yl)benzonitrile

C18H13N — CID 15858394

IUPAC2-(2-methylnaphthalen-1-yl)benzonitrile
SMILESCc1ccc2ccccc2c1-c1ccccc1C#N
InChIInChI=1S/C18H13N/c1-13-10-11-14-6-2-4-8-16(14)18(13)17-9-5-3-7-15(17)12-19/h2-11H,1H3
InChIKeyVDTREXKVGBPWBP-UHFFFAOYSA-N
MW243.31 g/mol
LogP4.69
Rot. Bonds1

About 2-(2-methylnaphthalen-1-yl)benzonitrile

2-(2-methylnaphthalen-1-yl)benzonitrile (PubChem CID 15858394) has the molecular formula C18H13N and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-(2-methylnaphthalen-1-yl)benzonitrile.

Molecular Properties

Compound Name2-(2-methylnaphthalen-1-yl)benzonitrile
PubChem CID15858394
Molecular FormulaC18H13N
Molecular Weight243.31 g/mol
Exact Mass243.10
IUPAC Name2-(2-methylnaphthalen-1-yl)benzonitrile
SMILESCc1ccc2ccccc2c1-c1ccccc1C#N
InChIInChI=1S/C18H13N/c1-13-10-11-14-6-2-4-8-16(14)18(13)17-9-5-3-7-15(17)12-19/h2-11H,1H3
InChIKeyVDTREXKVGBPWBP-UHFFFAOYSA-N
XLogP4.69
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-1-(2-methylphenyl)naphthalene
CID 14204979
ethyl 4-cyano-3-(2-methylnaphthalen-1-yl)benzoate
CID 70133266
2-methyl-1-(2-phenylphenyl)naphthalene
CID 102027516
2-methyl-1-(2-methylnaphthalen-1-yl)naphthalene;sulfane
CID 155977678
[2,6-bis(2-methylnaphthalen-1-yl)phenyl]-dichlorophosphane
CID 53236008
1,10-bis(2-methylnaphthalen-1-yl)anthracene
CID 123816307
3-(1-naphthalen-1-ylnaphthalen-2-yl)benzene-1,2-dicarbonitrile
CID 175833968
2-methyl-1-(3-methylnaphthalen-1-yl)naphthalene
CID 15148511
4-(2-hydroxynaphthalen-1-yl)naphthalene-1-carbonitrile
CID 131985794
2,3-dimethyl-1-(2-methylnaphthalen-1-yl)-4-(2-methylphenyl)naphthalene
CID 145390572
6,7-dimethyl-3-naphthalen-1-ylnaphthalene-2-carbonitrile
CID 102235920
naphthalene-1-carbonitrile;sulfane
CID 175607355

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylnaphthalen-1-yl)benzonitrile?
The IUPAC name of 2-(2-methylnaphthalen-1-yl)benzonitrile (CID 15858394) is 2-(2-methylnaphthalen-1-yl)benzonitrile.
What is the SMILES notation for 2-(2-methylnaphthalen-1-yl)benzonitrile?
The canonical SMILES for 2-(2-methylnaphthalen-1-yl)benzonitrile is Cc1ccc2ccccc2c1-c1ccccc1C#N.
What is the InChIKey of 2-(2-methylnaphthalen-1-yl)benzonitrile?
The InChIKey is VDTREXKVGBPWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N/c1-13-10-11-14-6-2-4-8-16(14)18(13)17-9-5-3-7-15(17)12-19/h2-11H,1H3.
What are the key properties of 2-(2-methylnaphthalen-1-yl)benzonitrile?
2-(2-methylnaphthalen-1-yl)benzonitrile has a molecular weight of 243.31 g/mol, XLogP of 4.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylnaphthalen-1-yl)benzonitrile is sourced from PubChem (CID 15858394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).