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

C17H11NO2 — CID 24950552

IUPAC3-hydroxy-7-(3-hydroxyphenyl)naphthalene-1-carbonitrile
SMILESN#Cc1cc(O)cc2ccc(-c3cccc(O)c3)cc12
InChIInChI=1S/C17H11NO2/c18-10-14-8-16(20)7-13-5-4-12(9-17(13)14)11-2-1-3-15(19)6-11/h1-9,19-20H
InChIKeyPBXARVUJEROSCH-UHFFFAOYSA-N
MW261.28 g/mol
LogP3.79
Rot. Bonds1

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

3-hydroxy-7-(3-hydroxyphenyl)naphthalene-1-carbonitrile (PubChem CID 24950552) has the molecular formula C17H11NO2 and a molecular weight of 261.28 g/mol. Its IUPAC name is 3-hydroxy-7-(3-hydroxyphenyl)naphthalene-1-carbonitrile.

Molecular Properties

Compound Name3-hydroxy-7-(3-hydroxyphenyl)naphthalene-1-carbonitrile
PubChem CID24950552
Molecular FormulaC17H11NO2
Molecular Weight261.28 g/mol
Exact Mass261.08
IUPAC Name3-hydroxy-7-(3-hydroxyphenyl)naphthalene-1-carbonitrile
SMILESN#Cc1cc(O)cc2ccc(-c3cccc(O)c3)cc12
InChIInChI=1S/C17H11NO2/c18-10-14-8-16(20)7-13-5-4-12(9-17(13)14)11-2-1-3-15(19)6-11/h1-9,19-20H
InChIKeyPBXARVUJEROSCH-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 3-hydroxy-7-(3-hydroxyphenyl)naphthalene-1-carbonitrile?
The IUPAC name of 3-hydroxy-7-(3-hydroxyphenyl)naphthalene-1-carbonitrile (CID 24950552) is 3-hydroxy-7-(3-hydroxyphenyl)naphthalene-1-carbonitrile.
What is the SMILES notation for 3-hydroxy-7-(3-hydroxyphenyl)naphthalene-1-carbonitrile?
The canonical SMILES for 3-hydroxy-7-(3-hydroxyphenyl)naphthalene-1-carbonitrile is N#Cc1cc(O)cc2ccc(-c3cccc(O)c3)cc12.
What is the InChIKey of 3-hydroxy-7-(3-hydroxyphenyl)naphthalene-1-carbonitrile?
The InChIKey is PBXARVUJEROSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NO2/c18-10-14-8-16(20)7-13-5-4-12(9-17(13)14)11-2-1-3-15(19)6-11/h1-9,19-20H.
What are the key properties of 3-hydroxy-7-(3-hydroxyphenyl)naphthalene-1-carbonitrile?
3-hydroxy-7-(3-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 3-hydroxy-7-(3-hydroxyphenyl)naphthalene-1-carbonitrile is sourced from PubChem (CID 24950552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).