[2-(1-benzofuran-2-yl)-2-oxoethyl] 3-(3-methoxyphenyl)-2-phenylprop-2-enoate

C26H20O5 — CID 4834788

IUPAC[2-(1-benzofuran-2-yl)-2-oxoethyl] 3-(3-methoxyphenyl)-2-phenylprop-2-enoate
SMILESCOc1cccc(C=C(C(=O)OCC(=O)c2cc3ccccc3o2)c2ccccc2)c1
InChIInChI=1S/C26H20O5/c1-29-21-12-7-8-18(14-21)15-22(19-9-3-2-4-10-19)26(28)30-17-23(27)25-16-20-11-5-6-13-24(20)31-25/h2-16H,17H2,1H3
InChIKeySZEUEWYTWUAVEL-UHFFFAOYSA-N
MW412.44 g/mol
LogP5.41
Rot. Bonds7

About [2-(1-benzofuran-2-yl)-2-oxoethyl] 3-(3-methoxyphenyl)-2-phenylprop-2-enoate

[2-(1-benzofuran-2-yl)-2-oxoethyl] 3-(3-methoxyphenyl)-2-phenylprop-2-enoate (PubChem CID 4834788) has the molecular formula C26H20O5 and a molecular weight of 412.44 g/mol. Its IUPAC name is [2-(1-benzofuran-2-yl)-2-oxoethyl] 3-(3-methoxyphenyl)-2-phenylprop-2-enoate.

Molecular Properties

Compound Name[2-(1-benzofuran-2-yl)-2-oxoethyl] 3-(3-methoxyphenyl)-2-phenylprop-2-enoate
PubChem CID4834788
Molecular FormulaC26H20O5
Molecular Weight412.44 g/mol
Exact Mass412.13
IUPAC Name[2-(1-benzofuran-2-yl)-2-oxoethyl] 3-(3-methoxyphenyl)-2-phenylprop-2-enoate
SMILESCOc1cccc(C=C(C(=O)OCC(=O)c2cc3ccccc3o2)c2ccccc2)c1
InChIInChI=1S/C26H20O5/c1-29-21-12-7-8-18(14-21)15-22(19-9-3-2-4-10-19)26(28)30-17-23(27)25-16-20-11-5-6-13-24(20)31-25/h2-16H,17H2,1H3
InChIKeySZEUEWYTWUAVEL-UHFFFAOYSA-N
XLogP5.41
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.44
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2-amino-2-oxoethyl) 3-(3-methoxyphenyl)-2-phenylprop-2-enoate
CID 3291781
(2-oxo-2-piperidin-1-ylethyl) 3-(3-methoxyphenyl)-2-phenylprop-2-enoate
CID 71953731
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] (E)-3-(3-methoxyphenyl)-2-phenylprop-2-enoate
CID 7860674
(2-chlorophenyl)methyl (E)-3-(3-methoxyphenyl)-2-phenylprop-2-enoate
CID 2435461
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 3-(3-methoxyphenyl)-2-phenylprop-2-enoate
CID 4831135
[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl] (E)-3-(3-methoxyphenyl)-2-phenylprop-2-enoate
CID 8004505
(2-chloro-6-fluorophenyl)methyl 3-(3-methoxyphenyl)-2-phenylprop-2-enoate
CID 4291817
[2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-2-oxoethyl] (Z)-3-(3-methoxyphenyl)-2-phenylprop-2-enoate
CID 92945293
(E)-2,3-bis(3-methoxyphenyl)prop-2-enoic acid
CID 13378251
1-(1-benzofuran-2-yl)-2-(3-methylphenoxy)ethanone
CID 43413131
[2-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylamino]-2-oxoethyl] 3-(3-methoxyphenyl)-2-phenylprop-2-enoate
CID 71953736
1-(1-benzofuran-2-yl)-2-(3-ethylphenoxy)ethanone
CID 43411796

Frequently Asked Questions

What is the IUPAC name of [2-(1-benzofuran-2-yl)-2-oxoethyl] 3-(3-methoxyphenyl)-2-phenylprop-2-enoate?
The IUPAC name of [2-(1-benzofuran-2-yl)-2-oxoethyl] 3-(3-methoxyphenyl)-2-phenylprop-2-enoate (CID 4834788) is [2-(1-benzofuran-2-yl)-2-oxoethyl] 3-(3-methoxyphenyl)-2-phenylprop-2-enoate.
What is the SMILES notation for [2-(1-benzofuran-2-yl)-2-oxoethyl] 3-(3-methoxyphenyl)-2-phenylprop-2-enoate?
The canonical SMILES for [2-(1-benzofuran-2-yl)-2-oxoethyl] 3-(3-methoxyphenyl)-2-phenylprop-2-enoate is COc1cccc(C=C(C(=O)OCC(=O)c2cc3ccccc3o2)c2ccccc2)c1.
What is the InChIKey of [2-(1-benzofuran-2-yl)-2-oxoethyl] 3-(3-methoxyphenyl)-2-phenylprop-2-enoate?
The InChIKey is SZEUEWYTWUAVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20O5/c1-29-21-12-7-8-18(14-21)15-22(19-9-3-2-4-10-19)26(28)30-17-23(27)25-16-20-11-5-6-13-24(20)31-25/h2-16H,17H2,1H3.
What are the key properties of [2-(1-benzofuran-2-yl)-2-oxoethyl] 3-(3-methoxyphenyl)-2-phenylprop-2-enoate?
[2-(1-benzofuran-2-yl)-2-oxoethyl] 3-(3-methoxyphenyl)-2-phenylprop-2-enoate has a molecular weight of 412.44 g/mol, XLogP of 5.41, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-benzofuran-2-yl)-2-oxoethyl] 3-(3-methoxyphenyl)-2-phenylprop-2-enoate is sourced from PubChem (CID 4834788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).