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

C19H16O3 — CID 118909526

IUPAC(E)-3-(1-benzofuran-2-yl)-1-(3-ethoxyphenyl)prop-2-en-1-one
SMILESCCOc1cccc(C(=O)/C=C/c2cc3ccccc3o2)c1
InChIInChI=1S/C19H16O3/c1-2-21-16-8-5-7-14(12-16)18(20)11-10-17-13-15-6-3-4-9-19(15)22-17/h3-13H,2H2,1H3/b11-10+
InChIKeyPEENCYXPJIIVKM-ZHACJKMWSA-N
MW292.33 g/mol
LogP4.73
Rot. Bonds5

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

(E)-3-(1-benzofuran-2-yl)-1-(3-ethoxyphenyl)prop-2-en-1-one (PubChem CID 118909526) has the molecular formula C19H16O3 and a molecular weight of 292.33 g/mol. Its IUPAC name is (E)-3-(1-benzofuran-2-yl)-1-(3-ethoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(1-benzofuran-2-yl)-1-(3-ethoxyphenyl)prop-2-en-1-one
PubChem CID118909526
Molecular FormulaC19H16O3
Molecular Weight292.33 g/mol
Exact Mass292.11
IUPAC Name(E)-3-(1-benzofuran-2-yl)-1-(3-ethoxyphenyl)prop-2-en-1-one
SMILESCCOc1cccc(C(=O)/C=C/c2cc3ccccc3o2)c1
InChIInChI=1S/C19H16O3/c1-2-21-16-8-5-7-14(12-16)18(20)11-10-17-13-15-6-3-4-9-19(15)22-17/h3-13H,2H2,1H3/b11-10+
InChIKeyPEENCYXPJIIVKM-ZHACJKMWSA-N
XLogP4.73
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 54.73
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

2-[3-[(E)-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enoyl]phenoxy]-N,N-dimethylacetamide
CID 60589434
3-(3-ethoxyphenyl)-1-(3-methoxyphenyl)prop-2-en-1-one
CID 75890323
2-(3-ethoxyphenyl)-2-oxoacetaldehyde
CID 19004915
3-(2,5-difluorophenyl)-1-(3-ethoxyphenyl)prop-2-en-1-one
CID 75937701
(E)-3-(4-ethoxyphenyl)-1-[3-[4-[3-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]phenoxy]butoxy]phenyl]prop-2-en-1-one
CID 167993814
(E)-3-(1-benzofuran-2-yl)-N-[[3-(2-methoxyethoxy)phenyl]methyl]prop-2-enamide
CID 78890942
1-(4-ethoxyphenyl)-3-naphthalen-1-ylprop-2-en-1-one
CID 2880362
2-[3-[3-(4-ethoxyphenyl)prop-2-enoyl]phenoxy]-N,N-dimethylacetamide
CID 78905786
(E)-1-[3-(difluoromethoxy)phenyl]-3-(4-ethoxyphenyl)prop-2-en-1-one
CID 19541061
(E)-1-(1-benzofuran-2-yl)-3-(3-ethoxy-2-methoxyphenyl)prop-2-en-1-one
CID 6214918
5-ethoxy-1-benzofuran-2-carbaldehyde
CID 10559567
3-(3-ethoxyphenyl)-3-oxopropanal
CID 55266464

Frequently Asked Questions

What is the IUPAC name of (E)-3-(1-benzofuran-2-yl)-1-(3-ethoxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-3-(1-benzofuran-2-yl)-1-(3-ethoxyphenyl)prop-2-en-1-one (CID 118909526) is (E)-3-(1-benzofuran-2-yl)-1-(3-ethoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(1-benzofuran-2-yl)-1-(3-ethoxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(1-benzofuran-2-yl)-1-(3-ethoxyphenyl)prop-2-en-1-one is CCOc1cccc(C(=O)/C=C/c2cc3ccccc3o2)c1.
What is the InChIKey of (E)-3-(1-benzofuran-2-yl)-1-(3-ethoxyphenyl)prop-2-en-1-one?
The InChIKey is PEENCYXPJIIVKM-ZHACJKMWSA-N. The full InChI is InChI=1S/C19H16O3/c1-2-21-16-8-5-7-14(12-16)18(20)11-10-17-13-15-6-3-4-9-19(15)22-17/h3-13H,2H2,1H3/b11-10+.
What are the key properties of (E)-3-(1-benzofuran-2-yl)-1-(3-ethoxyphenyl)prop-2-en-1-one?
(E)-3-(1-benzofuran-2-yl)-1-(3-ethoxyphenyl)prop-2-en-1-one has a molecular weight of 292.33 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1-benzofuran-2-yl)-1-(3-ethoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 118909526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).