(E)-1-(2,3-dihydro-1-benzofuran-5-yl)-3-(2-hydroxyphenyl)prop-2-en-1-one

C17H14O3 — CID 170838343

IUPAC(E)-1-(2,3-dihydro-1-benzofuran-5-yl)-3-(2-hydroxyphenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1O)c1ccc2c(c1)CCO2
InChIInChI=1S/C17H14O3/c18-15-4-2-1-3-12(15)5-7-16(19)13-6-8-17-14(11-13)9-10-20-17/h1-8,11,18H,9-10H2/b7-5+
InChIKeyABBPMGOEMLGGCP-FNORWQNLSA-N
MW266.30 g/mol
LogP3.22
Rot. Bonds3

About (E)-1-(2,3-dihydro-1-benzofuran-5-yl)-3-(2-hydroxyphenyl)prop-2-en-1-one

(E)-1-(2,3-dihydro-1-benzofuran-5-yl)-3-(2-hydroxyphenyl)prop-2-en-1-one (PubChem CID 170838343) has the molecular formula C17H14O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is (E)-1-(2,3-dihydro-1-benzofuran-5-yl)-3-(2-hydroxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(2,3-dihydro-1-benzofuran-5-yl)-3-(2-hydroxyphenyl)prop-2-en-1-one
PubChem CID170838343
Molecular FormulaC17H14O3
Molecular Weight266.30 g/mol
Exact Mass266.09
IUPAC Name(E)-1-(2,3-dihydro-1-benzofuran-5-yl)-3-(2-hydroxyphenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1O)c1ccc2c(c1)CCO2
InChIInChI=1S/C17H14O3/c18-15-4-2-1-3-12(15)5-7-16(19)13-6-8-17-14(11-13)9-10-20-17/h1-8,11,18H,9-10H2/b7-5+
InChIKeyABBPMGOEMLGGCP-FNORWQNLSA-N
XLogP3.22
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-hydroxyphenyl)-1-[3-[3-(2-hydroxyphenyl)prop-2-enoyl]phenyl]prop-2-en-1-one
CID 2749298
(E)-1-(3,4-dihydroxyphenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one
CID 71462728
(E)-3-(2-bromo-6-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)prop-2-en-1-one
CID 170838357
(E)-N-cyclobutyl-4-(2,3-dihydro-1-benzofuran-5-yl)-4-oxobut-2-enamide
CID 171527682
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-fluorophenyl)prop-2-en-1-one
CID 5028469
2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 676583
3-[2-hydroxy-4-[3-(2-hydroxyphenyl)prop-2-enoyl]phenyl]prop-2-enoic acid
CID 70138823
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methylsulfanylphenyl)prop-2-en-1-one
CID 156783239
(E)-1-(4-acetylpiperazin-1-yl)-4-(2,3-dihydro-1-benzofuran-5-yl)but-2-ene-1,4-dione
CID 171527617
1-(2,3-dihydro-1-benzofuran-5-yl)-3-ethylpent-2-en-1-one
CID 103458963
phenyl 2,3-dihydro-1-benzofuran-5-carboxylate
CID 2821719
(E)-3-[4-[(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-3-oxoprop-1-enyl]-1-methylpyrrol-2-yl]-N-hydroxyprop-2-enamide
CID 24851072

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2,3-dihydro-1-benzofuran-5-yl)-3-(2-hydroxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-1-(2,3-dihydro-1-benzofuran-5-yl)-3-(2-hydroxyphenyl)prop-2-en-1-one (CID 170838343) is (E)-1-(2,3-dihydro-1-benzofuran-5-yl)-3-(2-hydroxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(2,3-dihydro-1-benzofuran-5-yl)-3-(2-hydroxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(2,3-dihydro-1-benzofuran-5-yl)-3-(2-hydroxyphenyl)prop-2-en-1-one is O=C(/C=C/c1ccccc1O)c1ccc2c(c1)CCO2.
What is the InChIKey of (E)-1-(2,3-dihydro-1-benzofuran-5-yl)-3-(2-hydroxyphenyl)prop-2-en-1-one?
The InChIKey is ABBPMGOEMLGGCP-FNORWQNLSA-N. The full InChI is InChI=1S/C17H14O3/c18-15-4-2-1-3-12(15)5-7-16(19)13-6-8-17-14(11-13)9-10-20-17/h1-8,11,18H,9-10H2/b7-5+.
What are the key properties of (E)-1-(2,3-dihydro-1-benzofuran-5-yl)-3-(2-hydroxyphenyl)prop-2-en-1-one?
(E)-1-(2,3-dihydro-1-benzofuran-5-yl)-3-(2-hydroxyphenyl)prop-2-en-1-one has a molecular weight of 266.30 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2,3-dihydro-1-benzofuran-5-yl)-3-(2-hydroxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 170838343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).