(E)-1-(1-benzofuran-2-yl)-3-(3-ethoxy-2-methoxyphenyl)prop-2-en-1-one

C20H18O4 — CID 6214918

IUPAC(E)-1-(1-benzofuran-2-yl)-3-(3-ethoxy-2-methoxyphenyl)prop-2-en-1-one
SMILESCCOc1cccc(/C=C/C(=O)c2cc3ccccc3o2)c1OC
InChIInChI=1S/C20H18O4/c1-3-23-18-10-6-8-14(20(18)22-2)11-12-16(21)19-13-15-7-4-5-9-17(15)24-19/h4-13H,3H2,1-2H3/b12-11+
InChIKeyIHBJKFRFWCECFM-VAWYXSNFSA-N
MW322.36 g/mol
LogP4.74
Rot. Bonds6

About (E)-1-(1-benzofuran-2-yl)-3-(3-ethoxy-2-methoxyphenyl)prop-2-en-1-one

(E)-1-(1-benzofuran-2-yl)-3-(3-ethoxy-2-methoxyphenyl)prop-2-en-1-one (PubChem CID 6214918) has the molecular formula C20H18O4 and a molecular weight of 322.36 g/mol. Its IUPAC name is (E)-1-(1-benzofuran-2-yl)-3-(3-ethoxy-2-methoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(1-benzofuran-2-yl)-3-(3-ethoxy-2-methoxyphenyl)prop-2-en-1-one
PubChem CID6214918
Molecular FormulaC20H18O4
Molecular Weight322.36 g/mol
Exact Mass322.12
IUPAC Name(E)-1-(1-benzofuran-2-yl)-3-(3-ethoxy-2-methoxyphenyl)prop-2-en-1-one
SMILESCCOc1cccc(/C=C/C(=O)c2cc3ccccc3o2)c1OC
InChIInChI=1S/C20H18O4/c1-3-23-18-10-6-8-14(20(18)22-2)11-12-16(21)19-13-15-7-4-5-9-17(15)24-19/h4-13H,3H2,1-2H3/b12-11+
InChIKeyIHBJKFRFWCECFM-VAWYXSNFSA-N
XLogP4.74
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(1-benzofuran-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 4041105
(E)-1-(1-benzofuran-2-yl)-3-(3-ethoxy-4-hydroxyphenyl)prop-2-en-1-one
CID 6019404
1-(1-benzofuran-2-yl)-3-(2,4-dimethoxyphenyl)prop-2-en-1-one
CID 4556919
1-(1-benzofuran-2-yl)-3-(4,5-dimethoxy-2-nitrophenyl)prop-2-en-1-one
CID 4797263
(E)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(2,3-dimethoxyphenyl)prop-2-enamide
CID 9366370
2-[4-[3-(1-benzofuran-2-yl)-3-oxoprop-1-enyl]-2-methoxyphenoxy]acetonitrile
CID 4812885
3-(2-ethoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 78787127
(E)-1-(1-benzofuran-2-yl)-3-[2,4-bis(difluoromethoxy)phenyl]prop-2-en-1-one
CID 7947943
(E)-3-(1-benzofuran-2-yl)-1-(3-ethoxyphenyl)prop-2-en-1-one
CID 118909526
3-[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]chromen-2-one
CID 7066931
(E)-1-(1-benzofuran-2-yl)-3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)prop-2-en-1-one
CID 51135486
(E)-3-(2,3-dimethoxyphenyl)-1-(4-ethylphenyl)prop-2-en-1-one
CID 9448295

Frequently Asked Questions

What is the IUPAC name of (E)-1-(1-benzofuran-2-yl)-3-(3-ethoxy-2-methoxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-1-(1-benzofuran-2-yl)-3-(3-ethoxy-2-methoxyphenyl)prop-2-en-1-one (CID 6214918) is (E)-1-(1-benzofuran-2-yl)-3-(3-ethoxy-2-methoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(1-benzofuran-2-yl)-3-(3-ethoxy-2-methoxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(1-benzofuran-2-yl)-3-(3-ethoxy-2-methoxyphenyl)prop-2-en-1-one is CCOc1cccc(/C=C/C(=O)c2cc3ccccc3o2)c1OC.
What is the InChIKey of (E)-1-(1-benzofuran-2-yl)-3-(3-ethoxy-2-methoxyphenyl)prop-2-en-1-one?
The InChIKey is IHBJKFRFWCECFM-VAWYXSNFSA-N. The full InChI is InChI=1S/C20H18O4/c1-3-23-18-10-6-8-14(20(18)22-2)11-12-16(21)19-13-15-7-4-5-9-17(15)24-19/h4-13H,3H2,1-2H3/b12-11+.
What are the key properties of (E)-1-(1-benzofuran-2-yl)-3-(3-ethoxy-2-methoxyphenyl)prop-2-en-1-one?
(E)-1-(1-benzofuran-2-yl)-3-(3-ethoxy-2-methoxyphenyl)prop-2-en-1-one has a molecular weight of 322.36 g/mol, XLogP of 4.74, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(1-benzofuran-2-yl)-3-(3-ethoxy-2-methoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 6214918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).