(4-chlorophenyl)-(5-hydroxy-1-benzofuran-3-yl)methanone

C15H9ClO3 — CID 914303

IUPAC(4-chlorophenyl)-(5-hydroxy-1-benzofuran-3-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)c1coc2ccc(O)cc12
InChIInChI=1S/C15H9ClO3/c16-10-3-1-9(2-4-10)15(18)13-8-19-14-6-5-11(17)7-12(13)14/h1-8,17H
InChIKeyIKYCNGBYJXSLOO-UHFFFAOYSA-N
MW272.69 g/mol
LogP4.02
Rot. Bonds2

About (4-chlorophenyl)-(5-hydroxy-1-benzofuran-3-yl)methanone

(4-chlorophenyl)-(5-hydroxy-1-benzofuran-3-yl)methanone (PubChem CID 914303) has the molecular formula C15H9ClO3 and a molecular weight of 272.69 g/mol. Its IUPAC name is (4-chlorophenyl)-(5-hydroxy-1-benzofuran-3-yl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(5-hydroxy-1-benzofuran-3-yl)methanone
PubChem CID914303
Molecular FormulaC15H9ClO3
Molecular Weight272.69 g/mol
Exact Mass272.02
IUPAC Name(4-chlorophenyl)-(5-hydroxy-1-benzofuran-3-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)c1coc2ccc(O)cc12
InChIInChI=1S/C15H9ClO3/c16-10-3-1-9(2-4-10)15(18)13-8-19-14-6-5-11(17)7-12(13)14/h1-8,17H
InChIKeyIKYCNGBYJXSLOO-UHFFFAOYSA-N
XLogP4.02
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.69
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,8-dihydroxy-3-methyl-4-(9H)-naphtho(2,3-c)furanone
CID 132904
2-(4-Hydroxy-phenyl)benzofuran-5-OL
CID 656936
6,7,8,9-Tetrahydro-2-dibenzofuranol
CID 121024
Clobenfurol
CID 71132
Ethyl 5-hydroxy-2-methyl-3-benzofurancarboxylate
CID 81704
2-Dibenzofuranol
CID 66587
Benzofuran-5-ol
CID 11651159
7,8-Dichloro-2-dibenzofuranol
CID 156484
Ethyl 5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate
CID 624750
7-Chloro-2-(4-hydroxy-phenyl)-benzofuran-5-ol
CID 10236250
(2,5-Dimethoxyphenyl)(5-hydroxy-1-benzofuran-3-yl)methanone
CID 626866
(5-Hydroxy-1-benzofuran-3-yl)(4-methoxyphenyl)methanone
CID 687117

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(5-hydroxy-1-benzofuran-3-yl)methanone?
The IUPAC name of (4-chlorophenyl)-(5-hydroxy-1-benzofuran-3-yl)methanone (CID 914303) is (4-chlorophenyl)-(5-hydroxy-1-benzofuran-3-yl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(5-hydroxy-1-benzofuran-3-yl)methanone?
The canonical SMILES for (4-chlorophenyl)-(5-hydroxy-1-benzofuran-3-yl)methanone is O=C(c1ccc(Cl)cc1)c1coc2ccc(O)cc12.
What is the InChIKey of (4-chlorophenyl)-(5-hydroxy-1-benzofuran-3-yl)methanone?
The InChIKey is IKYCNGBYJXSLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClO3/c16-10-3-1-9(2-4-10)15(18)13-8-19-14-6-5-11(17)7-12(13)14/h1-8,17H.
What are the key properties of (4-chlorophenyl)-(5-hydroxy-1-benzofuran-3-yl)methanone?
(4-chlorophenyl)-(5-hydroxy-1-benzofuran-3-yl)methanone has a molecular weight of 272.69 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(5-hydroxy-1-benzofuran-3-yl)methanone is sourced from PubChem (CID 914303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).