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

C19H14O — CID 5355551

IUPAC(E)-1-naphthalen-2-yl-3-phenylprop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C19H14O/c20-19(13-10-15-6-2-1-3-7-15)18-12-11-16-8-4-5-9-17(16)14-18/h1-14H/b13-10+
InChIKeyDAJQCRGTLOLIJQ-JLHYYAGUSA-N
MW258.32 g/mol
LogP4.74
Rot. Bonds3

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

(E)-1-naphthalen-2-yl-3-phenylprop-2-en-1-one (PubChem CID 5355551) has the molecular formula C19H14O and a molecular weight of 258.32 g/mol. Its IUPAC name is (E)-1-naphthalen-2-yl-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-naphthalen-2-yl-3-phenylprop-2-en-1-one
PubChem CID5355551
Molecular FormulaC19H14O
Molecular Weight258.32 g/mol
Exact Mass258.10
IUPAC Name(E)-1-naphthalen-2-yl-3-phenylprop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C19H14O/c20-19(13-10-15-6-2-1-3-7-15)18-12-11-16-8-4-5-9-17(16)14-18/h1-14H/b13-10+
InChIKeyDAJQCRGTLOLIJQ-JLHYYAGUSA-N
XLogP4.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 54.74
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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Frequently Asked Questions

What is the IUPAC name of (E)-1-naphthalen-2-yl-3-phenylprop-2-en-1-one?
The IUPAC name of (E)-1-naphthalen-2-yl-3-phenylprop-2-en-1-one (CID 5355551) is (E)-1-naphthalen-2-yl-3-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-1-naphthalen-2-yl-3-phenylprop-2-en-1-one?
The canonical SMILES for (E)-1-naphthalen-2-yl-3-phenylprop-2-en-1-one is O=C(/C=C/c1ccccc1)c1ccc2ccccc2c1.
What is the InChIKey of (E)-1-naphthalen-2-yl-3-phenylprop-2-en-1-one?
The InChIKey is DAJQCRGTLOLIJQ-JLHYYAGUSA-N. The full InChI is InChI=1S/C19H14O/c20-19(13-10-15-6-2-1-3-7-15)18-12-11-16-8-4-5-9-17(16)14-18/h1-14H/b13-10+.
What are the key properties of (E)-1-naphthalen-2-yl-3-phenylprop-2-en-1-one?
(E)-1-naphthalen-2-yl-3-phenylprop-2-en-1-one has a molecular weight of 258.32 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-naphthalen-2-yl-3-phenylprop-2-en-1-one is sourced from PubChem (CID 5355551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).