3-phenylmethoxynaphthalene-2-carbonitrile

C18H13NO — CID 86260131

IUPAC3-phenylmethoxynaphthalene-2-carbonitrile
SMILESN#Cc1cc2ccccc2cc1OCc1ccccc1
InChIInChI=1S/C18H13NO/c19-12-17-10-15-8-4-5-9-16(15)11-18(17)20-13-14-6-2-1-3-7-14/h1-11H,13H2
InChIKeyBYHXFNLNMKBKJD-UHFFFAOYSA-N
MW259.31 g/mol
LogP4.29
Rot. Bonds3

About 3-phenylmethoxynaphthalene-2-carbonitrile

3-phenylmethoxynaphthalene-2-carbonitrile (PubChem CID 86260131) has the molecular formula C18H13NO and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-phenylmethoxynaphthalene-2-carbonitrile.

Molecular Properties

Compound Name3-phenylmethoxynaphthalene-2-carbonitrile
PubChem CID86260131
Molecular FormulaC18H13NO
Molecular Weight259.31 g/mol
Exact Mass259.10
IUPAC Name3-phenylmethoxynaphthalene-2-carbonitrile
SMILESN#Cc1cc2ccccc2cc1OCc1ccccc1
InChIInChI=1S/C18H13NO/c19-12-17-10-15-8-4-5-9-16(15)11-18(17)20-13-14-6-2-1-3-7-14/h1-11H,13H2
InChIKeyBYHXFNLNMKBKJD-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

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Frequently Asked Questions

What is the IUPAC name of 3-phenylmethoxynaphthalene-2-carbonitrile?
The IUPAC name of 3-phenylmethoxynaphthalene-2-carbonitrile (CID 86260131) is 3-phenylmethoxynaphthalene-2-carbonitrile.
What is the SMILES notation for 3-phenylmethoxynaphthalene-2-carbonitrile?
The canonical SMILES for 3-phenylmethoxynaphthalene-2-carbonitrile is N#Cc1cc2ccccc2cc1OCc1ccccc1.
What is the InChIKey of 3-phenylmethoxynaphthalene-2-carbonitrile?
The InChIKey is BYHXFNLNMKBKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO/c19-12-17-10-15-8-4-5-9-16(15)11-18(17)20-13-14-6-2-1-3-7-14/h1-11H,13H2.
What are the key properties of 3-phenylmethoxynaphthalene-2-carbonitrile?
3-phenylmethoxynaphthalene-2-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 3-phenylmethoxynaphthalene-2-carbonitrile is sourced from PubChem (CID 86260131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).