(E)-3-(6-hydroxynaphthalen-2-yl)-1-naphthalen-2-ylprop-2-en-1-one

C23H16O2 — CID 89077412

IUPAC(E)-3-(6-hydroxynaphthalen-2-yl)-1-naphthalen-2-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccc2cc(O)ccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C23H16O2/c24-22-11-10-19-13-16(5-7-20(19)15-22)6-12-23(25)21-9-8-17-3-1-2-4-18(17)14-21/h1-15,24H/b12-6+
InChIKeyCRVVJMMYKQFQFF-WUXMJOGZSA-N
MW324.38 g/mol
LogP5.59
Rot. Bonds3

About (E)-3-(6-hydroxynaphthalen-2-yl)-1-naphthalen-2-ylprop-2-en-1-one

(E)-3-(6-hydroxynaphthalen-2-yl)-1-naphthalen-2-ylprop-2-en-1-one (PubChem CID 89077412) has the molecular formula C23H16O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is (E)-3-(6-hydroxynaphthalen-2-yl)-1-naphthalen-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(6-hydroxynaphthalen-2-yl)-1-naphthalen-2-ylprop-2-en-1-one
PubChem CID89077412
Molecular FormulaC23H16O2
Molecular Weight324.38 g/mol
Exact Mass324.12
IUPAC Name(E)-3-(6-hydroxynaphthalen-2-yl)-1-naphthalen-2-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccc2cc(O)ccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C23H16O2/c24-22-11-10-19-13-16(5-7-20(19)15-22)6-12-23(25)21-9-8-17-3-1-2-4-18(17)14-21/h1-15,24H/b12-6+
InChIKeyCRVVJMMYKQFQFF-WUXMJOGZSA-N
XLogP5.59
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.38
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-(6-hydroxynaphthalen-2-yl)-1-naphthalen-2-ylprop-2-en-1-one 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

(E)-1-naphthalen-2-yl-3-[4-[(E)-3-naphthalen-2-yl-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one
CID 10939059
1-naphthalen-2-yl-3-[3-(3-naphthalen-2-yl-3-oxoprop-1-enyl)phenyl]prop-2-en-1-one
CID 5009926
(E)-3-(3-chloro-4-hydroxyphenyl)-1-naphthalen-2-ylprop-2-en-1-one
CID 52771858
3-(3-fluorophenyl)-1-naphthalen-2-ylprop-2-en-1-one
CID 3531094
(Z)-1-naphthalen-2-yl-3-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 92908632
(E)-1-naphthalen-2-yl-3-quinoxalin-6-ylprop-2-en-1-one
CID 176900312
(E)-1-naphthalen-2-yl-3-[4-(N-phenylanilino)phenyl]prop-2-en-1-one
CID 6151728
(E)-3-(4-ethylphenyl)-1-naphthalen-2-ylprop-2-en-1-one
CID 19561296
1-[4-(4-hydroxypiperidin-1-yl)phenyl]-3-naphthalen-2-ylprop-2-en-1-one
CID 72688372
(E)-1-naphthalen-2-ylpent-2-ene-1,4-dione
CID 102019956
(E)-3-hydroxy-1-naphthalen-2-ylprop-2-en-1-one
CID 12782042
naphthalene-2-carboxylic acid;naphthalen-2-ol
CID 161405760

Frequently Asked Questions

What is the IUPAC name of (E)-3-(6-hydroxynaphthalen-2-yl)-1-naphthalen-2-ylprop-2-en-1-one?
The IUPAC name of (E)-3-(6-hydroxynaphthalen-2-yl)-1-naphthalen-2-ylprop-2-en-1-one (CID 89077412) is (E)-3-(6-hydroxynaphthalen-2-yl)-1-naphthalen-2-ylprop-2-en-1-one.
What is the SMILES notation for (E)-3-(6-hydroxynaphthalen-2-yl)-1-naphthalen-2-ylprop-2-en-1-one?
The canonical SMILES for (E)-3-(6-hydroxynaphthalen-2-yl)-1-naphthalen-2-ylprop-2-en-1-one is O=C(/C=C/c1ccc2cc(O)ccc2c1)c1ccc2ccccc2c1.
What is the InChIKey of (E)-3-(6-hydroxynaphthalen-2-yl)-1-naphthalen-2-ylprop-2-en-1-one?
The InChIKey is CRVVJMMYKQFQFF-WUXMJOGZSA-N. The full InChI is InChI=1S/C23H16O2/c24-22-11-10-19-13-16(5-7-20(19)15-22)6-12-23(25)21-9-8-17-3-1-2-4-18(17)14-21/h1-15,24H/b12-6+.
What are the key properties of (E)-3-(6-hydroxynaphthalen-2-yl)-1-naphthalen-2-ylprop-2-en-1-one?
(E)-3-(6-hydroxynaphthalen-2-yl)-1-naphthalen-2-ylprop-2-en-1-one has a molecular weight of 324.38 g/mol, XLogP of 5.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(6-hydroxynaphthalen-2-yl)-1-naphthalen-2-ylprop-2-en-1-one is sourced from PubChem (CID 89077412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).