(E)-3-(3-chlorophenyl)-1-(6-fluoro-5-hydroxy-1-benzofuran-3-yl)prop-2-en-1-one

C17H10ClFO3 — CID 71812609

IUPAC(E)-3-(3-chlorophenyl)-1-(6-fluoro-5-hydroxy-1-benzofuran-3-yl)prop-2-en-1-one
SMILESO=C(/C=C/c1cccc(Cl)c1)c1coc2cc(F)c(O)cc12
InChIInChI=1S/C17H10ClFO3/c18-11-3-1-2-10(6-11)4-5-15(20)13-9-22-17-8-14(19)16(21)7-12(13)17/h1-9,21H/b5-4+
InChIKeyYVGBQTWLEFHCNA-SNAWJCMRSA-N
MW316.72 g/mol
LogP4.83
Rot. Bonds3

About (E)-3-(3-chlorophenyl)-1-(6-fluoro-5-hydroxy-1-benzofuran-3-yl)prop-2-en-1-one

(E)-3-(3-chlorophenyl)-1-(6-fluoro-5-hydroxy-1-benzofuran-3-yl)prop-2-en-1-one (PubChem CID 71812609) has the molecular formula C17H10ClFO3 and a molecular weight of 316.72 g/mol. Its IUPAC name is (E)-3-(3-chlorophenyl)-1-(6-fluoro-5-hydroxy-1-benzofuran-3-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(3-chlorophenyl)-1-(6-fluoro-5-hydroxy-1-benzofuran-3-yl)prop-2-en-1-one
PubChem CID71812609
Molecular FormulaC17H10ClFO3
Molecular Weight316.72 g/mol
Exact Mass316.03
IUPAC Name(E)-3-(3-chlorophenyl)-1-(6-fluoro-5-hydroxy-1-benzofuran-3-yl)prop-2-en-1-one
SMILESO=C(/C=C/c1cccc(Cl)c1)c1coc2cc(F)c(O)cc12
InChIInChI=1S/C17H10ClFO3/c18-11-3-1-2-10(6-11)4-5-15(20)13-9-22-17-8-14(19)16(21)7-12(13)17/h1-9,21H/b5-4+
InChIKeyYVGBQTWLEFHCNA-SNAWJCMRSA-N
XLogP4.83
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.72
LogP ≤ 54.83
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

1-(5-bromo-2-hydroxyphenyl)-3-(3-chlorophenyl)prop-2-en-1-one
CID 67174273
(E)-3-(3-chlorophenyl)-1-(3,4-difluorophenyl)prop-2-en-1-one
CID 8826736
(E)-3-(3-chlorophenyl)-1-(4-chlorophenyl)prop-2-en-1-one
CID 5377001
1-(2,4-dichlorophenyl)-3-(3-fluorophenyl)prop-2-en-1-one
CID 5025678
(E)-3-(3-chlorophenyl)-1-(2-hydroxy-4,5-dimethoxyphenyl)prop-2-en-1-one
CID 168891145
(E)-3-(3-chlorophenyl)-1-(2-methylphenyl)prop-2-en-1-one
CID 75359479
3-(3-bromophenyl)-1-(5-chloro-2-hydroxyphenyl)prop-2-en-1-one
CID 71821318
(E)-3-(3-chlorophenyl)-1-(4-fluoro-3-methylphenyl)prop-2-en-1-one
CID 39373680
(E)-3-(4-chlorophenyl)-1-(6-hydroxy-3-phenyl-1-benzofuran-5-yl)prop-2-en-1-one
CID 25147889
(E)-1-(4-chloro-2-fluorophenyl)-3-phenylprop-2-en-1-one
CID 146010544
(E)-1-(5-fluoro-2,4-dihydroxyphenyl)-3-phenylprop-2-en-1-one
CID 178046170
(E)-3-(3-chlorophenyl)-1-(1H-indol-3-yl)prop-2-en-1-one
CID 15122798

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-chlorophenyl)-1-(6-fluoro-5-hydroxy-1-benzofuran-3-yl)prop-2-en-1-one?
The IUPAC name of (E)-3-(3-chlorophenyl)-1-(6-fluoro-5-hydroxy-1-benzofuran-3-yl)prop-2-en-1-one (CID 71812609) is (E)-3-(3-chlorophenyl)-1-(6-fluoro-5-hydroxy-1-benzofuran-3-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(3-chlorophenyl)-1-(6-fluoro-5-hydroxy-1-benzofuran-3-yl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(3-chlorophenyl)-1-(6-fluoro-5-hydroxy-1-benzofuran-3-yl)prop-2-en-1-one is O=C(/C=C/c1cccc(Cl)c1)c1coc2cc(F)c(O)cc12.
What is the InChIKey of (E)-3-(3-chlorophenyl)-1-(6-fluoro-5-hydroxy-1-benzofuran-3-yl)prop-2-en-1-one?
The InChIKey is YVGBQTWLEFHCNA-SNAWJCMRSA-N. The full InChI is InChI=1S/C17H10ClFO3/c18-11-3-1-2-10(6-11)4-5-15(20)13-9-22-17-8-14(19)16(21)7-12(13)17/h1-9,21H/b5-4+.
What are the key properties of (E)-3-(3-chlorophenyl)-1-(6-fluoro-5-hydroxy-1-benzofuran-3-yl)prop-2-en-1-one?
(E)-3-(3-chlorophenyl)-1-(6-fluoro-5-hydroxy-1-benzofuran-3-yl)prop-2-en-1-one has a molecular weight of 316.72 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-chlorophenyl)-1-(6-fluoro-5-hydroxy-1-benzofuran-3-yl)prop-2-en-1-one is sourced from PubChem (CID 71812609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).