(E)-3-(4-methoxyphenyl)-1-naphthalen-2-ylprop-2-en-1-one

C20H16O2 — CID 5378298

IUPAC(E)-3-(4-methoxyphenyl)-1-naphthalen-2-ylprop-2-en-1-one
SMILESCOc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C20H16O2/c1-22-19-11-6-15(7-12-19)8-13-20(21)18-10-9-16-4-2-3-5-17(16)14-18/h2-14H,1H3/b13-8+
InChIKeyVZFRSPMIFYIXSS-MDWZMJQESA-N
MW288.35 g/mol
LogP4.74
Rot. Bonds4

About (E)-3-(4-methoxyphenyl)-1-naphthalen-2-ylprop-2-en-1-one

(E)-3-(4-methoxyphenyl)-1-naphthalen-2-ylprop-2-en-1-one (PubChem CID 5378298) has the molecular formula C20H16O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is (E)-3-(4-methoxyphenyl)-1-naphthalen-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(4-methoxyphenyl)-1-naphthalen-2-ylprop-2-en-1-one
PubChem CID5378298
Molecular FormulaC20H16O2
Molecular Weight288.35 g/mol
Exact Mass288.12
IUPAC Name(E)-3-(4-methoxyphenyl)-1-naphthalen-2-ylprop-2-en-1-one
SMILESCOc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C20H16O2/c1-22-19-11-6-15(7-12-19)8-13-20(21)18-10-9-16-4-2-3-5-17(16)14-18/h2-14H,1H3/b13-8+
InChIKeyVZFRSPMIFYIXSS-MDWZMJQESA-N
XLogP4.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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)-3-(4-methoxyphenyl)-1-naphthalen-2-ylprop-2-en-1-one?
The IUPAC name of (E)-3-(4-methoxyphenyl)-1-naphthalen-2-ylprop-2-en-1-one (CID 5378298) is (E)-3-(4-methoxyphenyl)-1-naphthalen-2-ylprop-2-en-1-one.
What is the SMILES notation for (E)-3-(4-methoxyphenyl)-1-naphthalen-2-ylprop-2-en-1-one?
The canonical SMILES for (E)-3-(4-methoxyphenyl)-1-naphthalen-2-ylprop-2-en-1-one is COc1ccc(/C=C/C(=O)c2ccc3ccccc3c2)cc1.
What is the InChIKey of (E)-3-(4-methoxyphenyl)-1-naphthalen-2-ylprop-2-en-1-one?
The InChIKey is VZFRSPMIFYIXSS-MDWZMJQESA-N. The full InChI is InChI=1S/C20H16O2/c1-22-19-11-6-15(7-12-19)8-13-20(21)18-10-9-16-4-2-3-5-17(16)14-18/h2-14H,1H3/b13-8+.
What are the key properties of (E)-3-(4-methoxyphenyl)-1-naphthalen-2-ylprop-2-en-1-one?
(E)-3-(4-methoxyphenyl)-1-naphthalen-2-ylprop-2-en-1-one has a molecular weight of 288.35 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-methoxyphenyl)-1-naphthalen-2-ylprop-2-en-1-one is sourced from PubChem (CID 5378298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).