(E)-3-(5-methyl-1-benzofuran-3-yl)-1-phenylprop-2-en-1-one

C18H14O2 — CID 135057388

IUPAC(E)-3-(5-methyl-1-benzofuran-3-yl)-1-phenylprop-2-en-1-one
SMILESCc1ccc2occ(/C=C/C(=O)c3ccccc3)c2c1
InChIInChI=1S/C18H14O2/c1-13-7-10-18-16(11-13)15(12-20-18)8-9-17(19)14-5-3-2-4-6-14/h2-12H,1H3/b9-8+
InChIKeyNFRNABONINYWGH-CMDGGOBGSA-N
MW262.31 g/mol
LogP4.64
Rot. Bonds3

About (E)-3-(5-methyl-1-benzofuran-3-yl)-1-phenylprop-2-en-1-one

(E)-3-(5-methyl-1-benzofuran-3-yl)-1-phenylprop-2-en-1-one (PubChem CID 135057388) has the molecular formula C18H14O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is (E)-3-(5-methyl-1-benzofuran-3-yl)-1-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(5-methyl-1-benzofuran-3-yl)-1-phenylprop-2-en-1-one
PubChem CID135057388
Molecular FormulaC18H14O2
Molecular Weight262.31 g/mol
Exact Mass262.10
IUPAC Name(E)-3-(5-methyl-1-benzofuran-3-yl)-1-phenylprop-2-en-1-one
SMILESCc1ccc2occ(/C=C/C(=O)c3ccccc3)c2c1
InChIInChI=1S/C18H14O2/c1-13-7-10-18-16(11-13)15(12-20-18)8-9-17(19)14-5-3-2-4-6-14/h2-12H,1H3/b9-8+
InChIKeyNFRNABONINYWGH-CMDGGOBGSA-N
XLogP4.64
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 54.64
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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Related Compounds

3-[3-(4-methoxyphenyl)-3-oxoprop-1-enyl]-6-methylchromen-4-one
CID 2900899
(E)-3-(5-methyl-1-benzofuran-3-yl)prop-2-enal
CID 131241397
3-(2-hydroxy-4-methylphenyl)-1-phenylprop-2-en-1-one
CID 67082787
3-[[(E)-3-(6-methyl-4-oxochromen-3-yl)prop-2-enoyl]amino]benzoic acid
CID 108792883
2-[[(E)-3-(6-methyl-4-oxochromen-3-yl)prop-2-enoyl]amino]acetic acid
CID 108792937
(E)-3-[5-methyl-2-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]prop-2-enal
CID 132519698
(E)-N-ethyl-3-(6-methyl-4-oxochromen-3-yl)prop-2-enamide
CID 108792993
(E)-3-(6-methyl-4-oxochromen-3-yl)-N-propan-2-ylprop-2-enamide
CID 108805012
N'-[2-(5-methyl-1-benzofuran-3-yl)acetyl]-2-phenylacetohydrazide
CID 18872421
(E)-3-(2-methylphenyl)-1-(4-methylphenyl)prop-2-en-1-one
CID 19564974
(E)-3-(4-fluorofuran-2-yl)-1-phenylprop-2-en-1-one
CID 90470108
3-hydroxy-2-[[(E)-3-(6-methyl-4-oxochromen-3-yl)prop-2-enoyl]amino]butanoic acid
CID 108793027

Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-methyl-1-benzofuran-3-yl)-1-phenylprop-2-en-1-one?
The IUPAC name of (E)-3-(5-methyl-1-benzofuran-3-yl)-1-phenylprop-2-en-1-one (CID 135057388) is (E)-3-(5-methyl-1-benzofuran-3-yl)-1-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-3-(5-methyl-1-benzofuran-3-yl)-1-phenylprop-2-en-1-one?
The canonical SMILES for (E)-3-(5-methyl-1-benzofuran-3-yl)-1-phenylprop-2-en-1-one is Cc1ccc2occ(/C=C/C(=O)c3ccccc3)c2c1.
What is the InChIKey of (E)-3-(5-methyl-1-benzofuran-3-yl)-1-phenylprop-2-en-1-one?
The InChIKey is NFRNABONINYWGH-CMDGGOBGSA-N. The full InChI is InChI=1S/C18H14O2/c1-13-7-10-18-16(11-13)15(12-20-18)8-9-17(19)14-5-3-2-4-6-14/h2-12H,1H3/b9-8+.
What are the key properties of (E)-3-(5-methyl-1-benzofuran-3-yl)-1-phenylprop-2-en-1-one?
(E)-3-(5-methyl-1-benzofuran-3-yl)-1-phenylprop-2-en-1-one has a molecular weight of 262.31 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-methyl-1-benzofuran-3-yl)-1-phenylprop-2-en-1-one is sourced from PubChem (CID 135057388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).