(E)-1-(7-methoxy-1-benzofuran-2-yl)-3-phenylprop-2-en-1-one

C18H14O3 — CID 8830594

IUPAC(E)-1-(7-methoxy-1-benzofuran-2-yl)-3-phenylprop-2-en-1-one
SMILESCOc1cccc2cc(C(=O)/C=C/c3ccccc3)oc12
InChIInChI=1S/C18H14O3/c1-20-16-9-5-8-14-12-17(21-18(14)16)15(19)11-10-13-6-3-2-4-7-13/h2-12H,1H3/b11-10+
InChIKeyZHLJIHOHEBNRCD-ZHACJKMWSA-N
MW278.31 g/mol
LogP4.34
Rot. Bonds4

About (E)-1-(7-methoxy-1-benzofuran-2-yl)-3-phenylprop-2-en-1-one

(E)-1-(7-methoxy-1-benzofuran-2-yl)-3-phenylprop-2-en-1-one (PubChem CID 8830594) has the molecular formula C18H14O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is (E)-1-(7-methoxy-1-benzofuran-2-yl)-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(7-methoxy-1-benzofuran-2-yl)-3-phenylprop-2-en-1-one
PubChem CID8830594
Molecular FormulaC18H14O3
Molecular Weight278.31 g/mol
Exact Mass278.09
IUPAC Name(E)-1-(7-methoxy-1-benzofuran-2-yl)-3-phenylprop-2-en-1-one
SMILESCOc1cccc2cc(C(=O)/C=C/c3ccccc3)oc12
InChIInChI=1S/C18H14O3/c1-20-16-9-5-8-14-12-17(21-18(14)16)15(19)11-10-13-6-3-2-4-7-13/h2-12H,1H3/b11-10+
InChIKeyZHLJIHOHEBNRCD-ZHACJKMWSA-N
XLogP4.34
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-chlorophenyl)-1-(7-methoxy-1-benzofuran-2-yl)prop-2-en-1-one;hydrochloride
CID 70634731
(E)-1-(7-methoxy-1-benzofuran-2-yl)-3-(4-nitrophenyl)prop-2-en-1-one
CID 8830605
1-(7-methoxy-1-benzofuran-2-yl)propan-1-one
CID 65427049
1-(1-benzofuran-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 4041105
7-methoxy-N-methyl-1-benzofuran-2-carboxamide
CID 53281820
8-methoxy-3-[(E)-3-(1-phenacylpyridin-1-ium-4-yl)prop-2-enoyl]chromen-2-one
CID 72723493
(2-methoxyphenyl) (E)-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enoate
CID 24592521
3-[(E)-3-[1-[(4-fluorophenyl)methyl]pyridin-1-ium-4-yl]prop-2-enoyl]-8-methoxychromen-2-one
CID 71450515
4-[(E)-3-(7-ethoxy-1-benzofuran-2-yl)-3-oxoprop-1-enyl]-2-nitrophenolate
CID 8830775
N-[1-(7-methoxy-1-benzofuran-2-yl)ethylidene]hydroxylamine
CID 1489109
(Z)-1-(3,4-dimethoxyphenyl)-3-phenylprop-2-en-1-one
CID 92997690
3-[(E)-3-[1-[(2-fluorophenyl)methyl]pyridin-1-ium-4-yl]prop-2-enoyl]-8-methoxychromen-2-one
CID 71455874

Frequently Asked Questions

What is the IUPAC name of (E)-1-(7-methoxy-1-benzofuran-2-yl)-3-phenylprop-2-en-1-one?
The IUPAC name of (E)-1-(7-methoxy-1-benzofuran-2-yl)-3-phenylprop-2-en-1-one (CID 8830594) is (E)-1-(7-methoxy-1-benzofuran-2-yl)-3-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-1-(7-methoxy-1-benzofuran-2-yl)-3-phenylprop-2-en-1-one?
The canonical SMILES for (E)-1-(7-methoxy-1-benzofuran-2-yl)-3-phenylprop-2-en-1-one is COc1cccc2cc(C(=O)/C=C/c3ccccc3)oc12.
What is the InChIKey of (E)-1-(7-methoxy-1-benzofuran-2-yl)-3-phenylprop-2-en-1-one?
The InChIKey is ZHLJIHOHEBNRCD-ZHACJKMWSA-N. The full InChI is InChI=1S/C18H14O3/c1-20-16-9-5-8-14-12-17(21-18(14)16)15(19)11-10-13-6-3-2-4-7-13/h2-12H,1H3/b11-10+.
What are the key properties of (E)-1-(7-methoxy-1-benzofuran-2-yl)-3-phenylprop-2-en-1-one?
(E)-1-(7-methoxy-1-benzofuran-2-yl)-3-phenylprop-2-en-1-one has a molecular weight of 278.31 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(7-methoxy-1-benzofuran-2-yl)-3-phenylprop-2-en-1-one is sourced from PubChem (CID 8830594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).