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

C23H16O — CID 6143927

IUPAC(E)-3-naphthalen-1-yl-1-naphthalen-2-ylprop-2-en-1-one
SMILESO=C(/C=C/c1cccc2ccccc12)c1ccc2ccccc2c1
InChIInChI=1S/C23H16O/c24-23(21-13-12-17-6-1-2-8-20(17)16-21)15-14-19-10-5-9-18-7-3-4-11-22(18)19/h1-16H/b15-14+
InChIKeyHTFOFUHKAZYGLA-CCEZHUSRSA-N
MW308.38 g/mol
LogP5.89
Rot. Bonds3

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

(E)-3-naphthalen-1-yl-1-naphthalen-2-ylprop-2-en-1-one (PubChem CID 6143927) has the molecular formula C23H16O and a molecular weight of 308.38 g/mol. Its IUPAC name is (E)-3-naphthalen-1-yl-1-naphthalen-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-naphthalen-1-yl-1-naphthalen-2-ylprop-2-en-1-one
PubChem CID6143927
Molecular FormulaC23H16O
Molecular Weight308.38 g/mol
Exact Mass308.12
IUPAC Name(E)-3-naphthalen-1-yl-1-naphthalen-2-ylprop-2-en-1-one
SMILESO=C(/C=C/c1cccc2ccccc12)c1ccc2ccccc2c1
InChIInChI=1S/C23H16O/c24-23(21-13-12-17-6-1-2-8-20(17)16-21)15-14-19-10-5-9-18-7-3-4-11-22(18)19/h1-16H/b15-14+
InChIKeyHTFOFUHKAZYGLA-CCEZHUSRSA-N
XLogP5.89
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.38
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-(4-hydroxyphenyl)-3-naphthalen-1-ylprop-2-en-1-one
CID 7946173
(E)-1-(4-iodophenyl)-3-naphthalen-1-ylprop-2-en-1-one
CID 6045199
3-naphthalen-1-yl-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 5036664
1-naphthalen-2-yl-3-[3-(3-naphthalen-2-yl-3-oxoprop-1-enyl)phenyl]prop-2-en-1-one
CID 5009926
1-(4-ethoxyphenyl)-3-naphthalen-1-ylprop-2-en-1-one
CID 2880362
(E)-1-naphthalen-2-yl-3-[4-[(E)-3-naphthalen-2-yl-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one
CID 10939059
6-[(E)-3-naphthalen-1-ylprop-2-enoyl]-4H-1,4-benzoxazin-3-one
CID 7638104
(Z)-3-anthracen-9-yl-1-phenanthren-2-ylprop-2-en-1-one
CID 92909364
(E)-3-hydroxy-1-naphthalen-2-ylprop-2-en-1-one
CID 12782042
N-[4-[(E)-3-naphthalen-1-ylprop-2-enoyl]phenyl]prop-2-enamide
CID 101136088
3-(3-fluorophenyl)-1-naphthalen-2-ylprop-2-en-1-one
CID 3531094
N-[4-[(E)-3-naphthalen-1-ylprop-2-enoyl]phenyl]ethanesulfonamide
CID 56528892

Frequently Asked Questions

What is the IUPAC name of (E)-3-naphthalen-1-yl-1-naphthalen-2-ylprop-2-en-1-one?
The IUPAC name of (E)-3-naphthalen-1-yl-1-naphthalen-2-ylprop-2-en-1-one (CID 6143927) is (E)-3-naphthalen-1-yl-1-naphthalen-2-ylprop-2-en-1-one.
What is the SMILES notation for (E)-3-naphthalen-1-yl-1-naphthalen-2-ylprop-2-en-1-one?
The canonical SMILES for (E)-3-naphthalen-1-yl-1-naphthalen-2-ylprop-2-en-1-one is O=C(/C=C/c1cccc2ccccc12)c1ccc2ccccc2c1.
What is the InChIKey of (E)-3-naphthalen-1-yl-1-naphthalen-2-ylprop-2-en-1-one?
The InChIKey is HTFOFUHKAZYGLA-CCEZHUSRSA-N. The full InChI is InChI=1S/C23H16O/c24-23(21-13-12-17-6-1-2-8-20(17)16-21)15-14-19-10-5-9-18-7-3-4-11-22(18)19/h1-16H/b15-14+.
What are the key properties of (E)-3-naphthalen-1-yl-1-naphthalen-2-ylprop-2-en-1-one?
(E)-3-naphthalen-1-yl-1-naphthalen-2-ylprop-2-en-1-one has a molecular weight of 308.38 g/mol, XLogP of 5.89, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-naphthalen-1-yl-1-naphthalen-2-ylprop-2-en-1-one is sourced from PubChem (CID 6143927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).