(7-bromo-1-benzofuran-2-yl)-(3-chlorophenyl)methanone

C15H8BrClO2 — CID 63547938

IUPAC(7-bromo-1-benzofuran-2-yl)-(3-chlorophenyl)methanone
SMILESO=C(c1cccc(Cl)c1)c1cc2cccc(Br)c2o1
InChIInChI=1S/C15H8BrClO2/c16-12-6-2-4-10-8-13(19-15(10)12)14(18)9-3-1-5-11(17)7-9/h1-8H
InChIKeyXYMGFPWFNTYHQA-UHFFFAOYSA-N
MW335.58 g/mol
LogP5.08
Rot. Bonds2

About (7-bromo-1-benzofuran-2-yl)-(3-chlorophenyl)methanone

(7-bromo-1-benzofuran-2-yl)-(3-chlorophenyl)methanone (PubChem CID 63547938) has the molecular formula C15H8BrClO2 and a molecular weight of 335.58 g/mol. Its IUPAC name is (7-bromo-1-benzofuran-2-yl)-(3-chlorophenyl)methanone.

Molecular Properties

Compound Name(7-bromo-1-benzofuran-2-yl)-(3-chlorophenyl)methanone
PubChem CID63547938
Molecular FormulaC15H8BrClO2
Molecular Weight335.58 g/mol
Exact Mass333.94
IUPAC Name(7-bromo-1-benzofuran-2-yl)-(3-chlorophenyl)methanone
SMILESO=C(c1cccc(Cl)c1)c1cc2cccc(Br)c2o1
InChIInChI=1S/C15H8BrClO2/c16-12-6-2-4-10-8-13(19-15(10)12)14(18)9-3-1-5-11(17)7-9/h1-8H
InChIKeyXYMGFPWFNTYHQA-UHFFFAOYSA-N
XLogP5.08
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.58
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-3-chlorophenyl)-(7-chloro-1-benzofuran-2-yl)methanone
CID 115810821
(4-bromophenyl)-(7-chloro-1-benzofuran-2-yl)methanone
CID 112614525
7-bromo-1-benzofuran-2-carboxamide
CID 47331810
1-(7-bromo-1-benzofuran-2-yl)-2-(4-chlorophenyl)ethanone
CID 105078047
(7-bromo-1-benzofuran-2-yl)-(5-fluoro-3-pyridinyl)methanone
CID 105081902
(5-chloro-7-methoxy-1-benzofuran-2-yl)-(3-chlorophenyl)methanone
CID 104666670
(3-bromo-4-methoxyphenyl)-(7-chloro-1-benzofuran-2-yl)methanone
CID 115810874
(7-bromo-1-benzofuran-2-yl)-(2,6-difluoro-3-methylphenyl)methanone
CID 105124504
(3-bromo-2-pyridinyl)-(7-chloro-1-benzofuran-2-yl)methanone
CID 114726075
5-(3-chlorobenzoyl)furan-2-carboxylic acid
CID 21387643
7-bromo-N-[(4-chlorophenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide
CID 55684638
(7-bromo-1-benzofuran-2-yl)-(5-ethylthiophen-2-yl)methanone
CID 63547761

Frequently Asked Questions

What is the IUPAC name of (7-bromo-1-benzofuran-2-yl)-(3-chlorophenyl)methanone?
The IUPAC name of (7-bromo-1-benzofuran-2-yl)-(3-chlorophenyl)methanone (CID 63547938) is (7-bromo-1-benzofuran-2-yl)-(3-chlorophenyl)methanone.
What is the SMILES notation for (7-bromo-1-benzofuran-2-yl)-(3-chlorophenyl)methanone?
The canonical SMILES for (7-bromo-1-benzofuran-2-yl)-(3-chlorophenyl)methanone is O=C(c1cccc(Cl)c1)c1cc2cccc(Br)c2o1.
What is the InChIKey of (7-bromo-1-benzofuran-2-yl)-(3-chlorophenyl)methanone?
The InChIKey is XYMGFPWFNTYHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrClO2/c16-12-6-2-4-10-8-13(19-15(10)12)14(18)9-3-1-5-11(17)7-9/h1-8H.
What are the key properties of (7-bromo-1-benzofuran-2-yl)-(3-chlorophenyl)methanone?
(7-bromo-1-benzofuran-2-yl)-(3-chlorophenyl)methanone has a molecular weight of 335.58 g/mol, XLogP of 5.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromo-1-benzofuran-2-yl)-(3-chlorophenyl)methanone is sourced from PubChem (CID 63547938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).