1-(7-chloro-1-benzofuran-2-yl)-2-hydroxy-2-phenylethanone

C16H11ClO3 — CID 103458183

IUPAC1-(7-chloro-1-benzofuran-2-yl)-2-hydroxy-2-phenylethanone
SMILESO=C(c1cc2cccc(Cl)c2o1)C(O)c1ccccc1
InChIInChI=1S/C16H11ClO3/c17-12-8-4-7-11-9-13(20-16(11)12)15(19)14(18)10-5-2-1-3-6-10/h1-9,14,18H
InChIKeyZRPPIHGTJVBQCA-UHFFFAOYSA-N
MW286.71 g/mol
LogP4.00
Rot. Bonds3

About 1-(7-chloro-1-benzofuran-2-yl)-2-hydroxy-2-phenylethanone

1-(7-chloro-1-benzofuran-2-yl)-2-hydroxy-2-phenylethanone (PubChem CID 103458183) has the molecular formula C16H11ClO3 and a molecular weight of 286.71 g/mol. Its IUPAC name is 1-(7-chloro-1-benzofuran-2-yl)-2-hydroxy-2-phenylethanone.

Molecular Properties

Compound Name1-(7-chloro-1-benzofuran-2-yl)-2-hydroxy-2-phenylethanone
PubChem CID103458183
Molecular FormulaC16H11ClO3
Molecular Weight286.71 g/mol
Exact Mass286.04
IUPAC Name1-(7-chloro-1-benzofuran-2-yl)-2-hydroxy-2-phenylethanone
SMILESO=C(c1cc2cccc(Cl)c2o1)C(O)c1ccccc1
InChIInChI=1S/C16H11ClO3/c17-12-8-4-7-11-9-13(20-16(11)12)15(19)14(18)10-5-2-1-3-6-10/h1-9,14,18H
InChIKeyZRPPIHGTJVBQCA-UHFFFAOYSA-N
XLogP4.00
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.71
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7-fluoro-1-benzofuran-2-yl)-2-hydroxy-2-phenylethanone
CID 103458090
1-(7-chloro-1-benzofuran-2-yl)-2-ethylbutan-1-one
CID 115810703
2-(aminomethyl)-1-(7-chloro-1-benzofuran-2-yl)butan-1-one
CID 114736660
7-chloro-N-methyl-1-benzofuran-2-carboxamide
CID 84586183
(7-chloro-1-benzofuran-2-yl)-(2,3-dihydro-1H-inden-2-yl)methanone
CID 114725485
propan-2-yl 7-chloro-1-benzofuran-2-carboxylate
CID 135394390
(4-bromophenyl)-(7-chloro-1-benzofuran-2-yl)methanone
CID 112614525
(7-chloro-1-benzofuran-2-yl)-(2,3-dimethylphenyl)methanone
CID 115810708
1-(7-chloro-1-benzofuran-2-yl)-3-methoxybutan-1-one
CID 114726061
(7-chloro-1-benzofuran-2-yl)-(5-chlorothiophen-2-yl)methanone
CID 112614526
(7-chloro-1-benzofuran-2-yl)-(3-chloro-2-fluorophenyl)methanone
CID 114725319
1-(2,3-dichlorophenyl)-2-hydroxy-2-phenylethanone
CID 21163872

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-1-benzofuran-2-yl)-2-hydroxy-2-phenylethanone?
The IUPAC name of 1-(7-chloro-1-benzofuran-2-yl)-2-hydroxy-2-phenylethanone (CID 103458183) is 1-(7-chloro-1-benzofuran-2-yl)-2-hydroxy-2-phenylethanone.
What is the SMILES notation for 1-(7-chloro-1-benzofuran-2-yl)-2-hydroxy-2-phenylethanone?
The canonical SMILES for 1-(7-chloro-1-benzofuran-2-yl)-2-hydroxy-2-phenylethanone is O=C(c1cc2cccc(Cl)c2o1)C(O)c1ccccc1.
What is the InChIKey of 1-(7-chloro-1-benzofuran-2-yl)-2-hydroxy-2-phenylethanone?
The InChIKey is ZRPPIHGTJVBQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClO3/c17-12-8-4-7-11-9-13(20-16(11)12)15(19)14(18)10-5-2-1-3-6-10/h1-9,14,18H.
What are the key properties of 1-(7-chloro-1-benzofuran-2-yl)-2-hydroxy-2-phenylethanone?
1-(7-chloro-1-benzofuran-2-yl)-2-hydroxy-2-phenylethanone has a molecular weight of 286.71 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-1-benzofuran-2-yl)-2-hydroxy-2-phenylethanone is sourced from PubChem (CID 103458183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).