7-hydroxy-3-(4-hydroxyphenyl)naphthalene-1-carbonitrile

C17H11NO2 — CID 10308134

IUPAC7-hydroxy-3-(4-hydroxyphenyl)naphthalene-1-carbonitrile
SMILESN#Cc1cc(-c2ccc(O)cc2)cc2ccc(O)cc12
InChIInChI=1S/C17H11NO2/c18-10-14-8-13(11-1-4-15(19)5-2-11)7-12-3-6-16(20)9-17(12)14/h1-9,19-20H
InChIKeyAOWCVRXIHIHAPN-UHFFFAOYSA-N
MW261.28 g/mol
LogP3.79
Rot. Bonds1

About 7-hydroxy-3-(4-hydroxyphenyl)naphthalene-1-carbonitrile

7-hydroxy-3-(4-hydroxyphenyl)naphthalene-1-carbonitrile (PubChem CID 10308134) has the molecular formula C17H11NO2 and a molecular weight of 261.28 g/mol. Its IUPAC name is 7-hydroxy-3-(4-hydroxyphenyl)naphthalene-1-carbonitrile.

Molecular Properties

Compound Name7-hydroxy-3-(4-hydroxyphenyl)naphthalene-1-carbonitrile
PubChem CID10308134
Molecular FormulaC17H11NO2
Molecular Weight261.28 g/mol
Exact Mass261.08
IUPAC Name7-hydroxy-3-(4-hydroxyphenyl)naphthalene-1-carbonitrile
SMILESN#Cc1cc(-c2ccc(O)cc2)cc2ccc(O)cc12
InChIInChI=1S/C17H11NO2/c18-10-14-8-13(11-1-4-15(19)5-2-11)7-12-3-6-16(20)9-17(12)14/h1-9,19-20H
InChIKeyAOWCVRXIHIHAPN-UHFFFAOYSA-N
XLogP3.79
TPSA64.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3-(4-hydroxyphenyl)naphthalene-1-carbonitrile?
The IUPAC name of 7-hydroxy-3-(4-hydroxyphenyl)naphthalene-1-carbonitrile (CID 10308134) is 7-hydroxy-3-(4-hydroxyphenyl)naphthalene-1-carbonitrile.
What is the SMILES notation for 7-hydroxy-3-(4-hydroxyphenyl)naphthalene-1-carbonitrile?
The canonical SMILES for 7-hydroxy-3-(4-hydroxyphenyl)naphthalene-1-carbonitrile is N#Cc1cc(-c2ccc(O)cc2)cc2ccc(O)cc12.
What is the InChIKey of 7-hydroxy-3-(4-hydroxyphenyl)naphthalene-1-carbonitrile?
The InChIKey is AOWCVRXIHIHAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NO2/c18-10-14-8-13(11-1-4-15(19)5-2-11)7-12-3-6-16(20)9-17(12)14/h1-9,19-20H.
What are the key properties of 7-hydroxy-3-(4-hydroxyphenyl)naphthalene-1-carbonitrile?
7-hydroxy-3-(4-hydroxyphenyl)naphthalene-1-carbonitrile has a molecular weight of 261.28 g/mol, XLogP of 3.79, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3-(4-hydroxyphenyl)naphthalene-1-carbonitrile is sourced from PubChem (CID 10308134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).