(E)-1-(2,3-dihydro-1-benzofuran-5-yl)-3-(3-fluoro-4-hydroxyphenyl)prop-2-en-1-one

C17H13FO3 — CID 127048679

IUPAC(E)-1-(2,3-dihydro-1-benzofuran-5-yl)-3-(3-fluoro-4-hydroxyphenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccc(O)c(F)c1)c1ccc2c(c1)CCO2
InChIInChI=1S/C17H13FO3/c18-14-9-11(2-5-16(14)20)1-4-15(19)12-3-6-17-13(10-12)7-8-21-17/h1-6,9-10,20H,7-8H2/b4-1+
InChIKeyGBBPNVAZMNARKY-DAFODLJHSA-N
MW284.29 g/mol
LogP3.36
Rot. Bonds3

About (E)-1-(2,3-dihydro-1-benzofuran-5-yl)-3-(3-fluoro-4-hydroxyphenyl)prop-2-en-1-one

(E)-1-(2,3-dihydro-1-benzofuran-5-yl)-3-(3-fluoro-4-hydroxyphenyl)prop-2-en-1-one (PubChem CID 127048679) has the molecular formula C17H13FO3 and a molecular weight of 284.29 g/mol. Its IUPAC name is (E)-1-(2,3-dihydro-1-benzofuran-5-yl)-3-(3-fluoro-4-hydroxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(2,3-dihydro-1-benzofuran-5-yl)-3-(3-fluoro-4-hydroxyphenyl)prop-2-en-1-one
PubChem CID127048679
Molecular FormulaC17H13FO3
Molecular Weight284.29 g/mol
Exact Mass284.08
IUPAC Name(E)-1-(2,3-dihydro-1-benzofuran-5-yl)-3-(3-fluoro-4-hydroxyphenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccc(O)c(F)c1)c1ccc2c(c1)CCO2
InChIInChI=1S/C17H13FO3/c18-14-9-11(2-5-16(14)20)1-4-15(19)12-3-6-17-13(10-12)7-8-21-17/h1-6,9-10,20H,7-8H2/b4-1+
InChIKeyGBBPNVAZMNARKY-DAFODLJHSA-N
XLogP3.36
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 53.36
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

Benzarone
CID 255968
Methoxyphenone
CID 38839
4'-Hydroxy-4-methoxychalcone
CID 5355594
4'-Benzyloxy-2'-hydroxy-3'-methylacetophenone
CID 736185
1-[4-[(4-Fluorophenyl)methoxy]phenyl]ethanone
CID 2737276
3'-Hydroxy-6-methylflavone
CID 11075942
(R)-Bitalin A
CID 12414277
Lupinisoflavone A
CID 5319901
Eupomatenoid 6
CID 6261723
1-Benzofuran-5-ylmethanol
CID 2795179
1-(4-((3-Methylphenyl)methoxy)phenyl)ethan-1-one
CID 5200303
Licofuranone
CID 15060135

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2,3-dihydro-1-benzofuran-5-yl)-3-(3-fluoro-4-hydroxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-1-(2,3-dihydro-1-benzofuran-5-yl)-3-(3-fluoro-4-hydroxyphenyl)prop-2-en-1-one (CID 127048679) is (E)-1-(2,3-dihydro-1-benzofuran-5-yl)-3-(3-fluoro-4-hydroxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(2,3-dihydro-1-benzofuran-5-yl)-3-(3-fluoro-4-hydroxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(2,3-dihydro-1-benzofuran-5-yl)-3-(3-fluoro-4-hydroxyphenyl)prop-2-en-1-one is O=C(/C=C/c1ccc(O)c(F)c1)c1ccc2c(c1)CCO2.
What is the InChIKey of (E)-1-(2,3-dihydro-1-benzofuran-5-yl)-3-(3-fluoro-4-hydroxyphenyl)prop-2-en-1-one?
The InChIKey is GBBPNVAZMNARKY-DAFODLJHSA-N. The full InChI is InChI=1S/C17H13FO3/c18-14-9-11(2-5-16(14)20)1-4-15(19)12-3-6-17-13(10-12)7-8-21-17/h1-6,9-10,20H,7-8H2/b4-1+.
What are the key properties of (E)-1-(2,3-dihydro-1-benzofuran-5-yl)-3-(3-fluoro-4-hydroxyphenyl)prop-2-en-1-one?
(E)-1-(2,3-dihydro-1-benzofuran-5-yl)-3-(3-fluoro-4-hydroxyphenyl)prop-2-en-1-one has a molecular weight of 284.29 g/mol, XLogP of 3.36, 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-(3-fluoro-4-hydroxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 127048679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).