(E)-3-(4-chlorophenyl)-1-(6-hydroxy-3-phenyl-1-benzofuran-5-yl)prop-2-en-1-one

C23H15ClO3 — CID 25147889

IUPAC(E)-3-(4-chlorophenyl)-1-(6-hydroxy-3-phenyl-1-benzofuran-5-yl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccc(Cl)cc1)c1cc2c(-c3ccccc3)coc2cc1O
InChIInChI=1S/C23H15ClO3/c24-17-9-6-15(7-10-17)8-11-21(25)19-12-18-20(16-4-2-1-3-5-16)14-27-23(18)13-22(19)26/h1-14,26H/b11-8+
InChIKeyAEGGEFGLNPKRSY-DHZHZOJOSA-N
MW374.82 g/mol
LogP6.35
Rot. Bonds4

About (E)-3-(4-chlorophenyl)-1-(6-hydroxy-3-phenyl-1-benzofuran-5-yl)prop-2-en-1-one

(E)-3-(4-chlorophenyl)-1-(6-hydroxy-3-phenyl-1-benzofuran-5-yl)prop-2-en-1-one (PubChem CID 25147889) has the molecular formula C23H15ClO3 and a molecular weight of 374.82 g/mol. Its IUPAC name is (E)-3-(4-chlorophenyl)-1-(6-hydroxy-3-phenyl-1-benzofuran-5-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(4-chlorophenyl)-1-(6-hydroxy-3-phenyl-1-benzofuran-5-yl)prop-2-en-1-one
PubChem CID25147889
Molecular FormulaC23H15ClO3
Molecular Weight374.82 g/mol
Exact Mass374.07
IUPAC Name(E)-3-(4-chlorophenyl)-1-(6-hydroxy-3-phenyl-1-benzofuran-5-yl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccc(Cl)cc1)c1cc2c(-c3ccccc3)coc2cc1O
InChIInChI=1S/C23H15ClO3/c24-17-9-6-15(7-10-17)8-11-21(25)19-12-18-20(16-4-2-1-3-5-16)14-27-23(18)13-22(19)26/h1-14,26H/b11-8+
InChIKeyAEGGEFGLNPKRSY-DHZHZOJOSA-N
XLogP6.35
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.82
LogP ≤ 56.35
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

(Z)-1-(5-chloro-2-hydroxyphenyl)-3-(4-chlorophenyl)prop-2-en-1-one
CID 92532750
3-(4-chlorophenyl)-1-(2,5-dihydroxyphenyl)prop-2-en-1-one
CID 54161094
1-(4-chloro-2,5-dihydroxyphenyl)-3-phenylprop-2-en-1-one
CID 174535088
(E)-3-(3-chlorophenyl)-1-(6-fluoro-5-hydroxy-1-benzofuran-3-yl)prop-2-en-1-one
CID 71812609
(E)-1-(2,4-dihydroxyphenyl)-3-(4-phenylphenyl)prop-2-en-1-one
CID 151077564
(E)-3-(4-bromophenyl)-1-(5-chloro-2-hydroxyphenyl)prop-2-en-1-one
CID 75539269
(Z)-3-(4-chlorophenyl)-1-phenylprop-2-en-1-one
CID 7292267
(E)-1-(5-fluoro-2,4-dihydroxyphenyl)-3-phenylprop-2-en-1-one
CID 178046170
3-[4-hydroxy-3-(3-phenylprop-2-enoyl)phenyl]prop-2-enoic acid
CID 54370841
(E)-3-(4-chlorophenyl)-1-(4-hydroxy-3-methyl-1-benzofuran-5-yl)prop-2-en-1-one
CID 141465563
(E)-1-(5-chloro-2-methylphenyl)-3-phenylprop-2-en-1-one
CID 146005953
3-(4-chlorophenyl)-1-(2-methylphenyl)prop-2-en-1-one
CID 582919

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chlorophenyl)-1-(6-hydroxy-3-phenyl-1-benzofuran-5-yl)prop-2-en-1-one?
The IUPAC name of (E)-3-(4-chlorophenyl)-1-(6-hydroxy-3-phenyl-1-benzofuran-5-yl)prop-2-en-1-one (CID 25147889) is (E)-3-(4-chlorophenyl)-1-(6-hydroxy-3-phenyl-1-benzofuran-5-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(4-chlorophenyl)-1-(6-hydroxy-3-phenyl-1-benzofuran-5-yl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(4-chlorophenyl)-1-(6-hydroxy-3-phenyl-1-benzofuran-5-yl)prop-2-en-1-one is O=C(/C=C/c1ccc(Cl)cc1)c1cc2c(-c3ccccc3)coc2cc1O.
What is the InChIKey of (E)-3-(4-chlorophenyl)-1-(6-hydroxy-3-phenyl-1-benzofuran-5-yl)prop-2-en-1-one?
The InChIKey is AEGGEFGLNPKRSY-DHZHZOJOSA-N. The full InChI is InChI=1S/C23H15ClO3/c24-17-9-6-15(7-10-17)8-11-21(25)19-12-18-20(16-4-2-1-3-5-16)14-27-23(18)13-22(19)26/h1-14,26H/b11-8+.
What are the key properties of (E)-3-(4-chlorophenyl)-1-(6-hydroxy-3-phenyl-1-benzofuran-5-yl)prop-2-en-1-one?
(E)-3-(4-chlorophenyl)-1-(6-hydroxy-3-phenyl-1-benzofuran-5-yl)prop-2-en-1-one has a molecular weight of 374.82 g/mol, XLogP of 6.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-chlorophenyl)-1-(6-hydroxy-3-phenyl-1-benzofuran-5-yl)prop-2-en-1-one is sourced from PubChem (CID 25147889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).