(3-bromo-4-methoxyphenyl)-(7-chloro-1-benzofuran-2-yl)methanone

C16H10BrClO3 — CID 115810874

IUPAC(3-bromo-4-methoxyphenyl)-(7-chloro-1-benzofuran-2-yl)methanone
SMILESCOc1ccc(C(=O)c2cc3cccc(Cl)c3o2)cc1Br
InChIInChI=1S/C16H10BrClO3/c1-20-13-6-5-9(7-11(13)17)15(19)14-8-10-3-2-4-12(18)16(10)21-14/h2-8H,1H3
InChIKeyYQJUCXSTLPUYGQ-UHFFFAOYSA-N
MW365.61 g/mol
LogP5.09
Rot. Bonds3

About (3-bromo-4-methoxyphenyl)-(7-chloro-1-benzofuran-2-yl)methanone

(3-bromo-4-methoxyphenyl)-(7-chloro-1-benzofuran-2-yl)methanone (PubChem CID 115810874) has the molecular formula C16H10BrClO3 and a molecular weight of 365.61 g/mol. Its IUPAC name is (3-bromo-4-methoxyphenyl)-(7-chloro-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name(3-bromo-4-methoxyphenyl)-(7-chloro-1-benzofuran-2-yl)methanone
PubChem CID115810874
Molecular FormulaC16H10BrClO3
Molecular Weight365.61 g/mol
Exact Mass363.95
IUPAC Name(3-bromo-4-methoxyphenyl)-(7-chloro-1-benzofuran-2-yl)methanone
SMILESCOc1ccc(C(=O)c2cc3cccc(Cl)c3o2)cc1Br
InChIInChI=1S/C16H10BrClO3/c1-20-13-6-5-9(7-11(13)17)15(19)14-8-10-3-2-4-12(18)16(10)21-14/h2-8H,1H3
InChIKeyYQJUCXSTLPUYGQ-UHFFFAOYSA-N
XLogP5.09
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.61
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-3-chlorophenyl)-(7-chloro-1-benzofuran-2-yl)methanone
CID 115810821
(3-bromo-4-methoxyphenyl)-(5-chlorofuran-2-yl)methanone
CID 106683749
(4-bromophenyl)-(7-chloro-1-benzofuran-2-yl)methanone
CID 112614525
(7-chloro-1-benzofuran-2-yl)-(5-chloro-2-methoxyphenyl)methanone
CID 115810745
(7-chloro-1-benzofuran-2-yl)-(4-chloro-2-methoxyphenyl)methanone
CID 115810736
(2-amino-5-methoxyphenyl)-(7-chloro-1-benzofuran-2-yl)methanone
CID 114737213
(7-bromo-1-benzofuran-2-yl)-(5-fluoro-2-methoxyphenyl)methanone
CID 105125170
N,2-dichloro-5-(7-methoxy-1-benzofuran-2-carbonyl)benzenesulfonamide
CID 88797719
(2,4-dichlorophenyl)-(7-methoxy-1-benzofuran-2-yl)methanone
CID 1480056
(7-bromo-1-benzofuran-2-yl)-(3-chlorophenyl)methanone
CID 63547938
(4-bromo-3-chlorophenyl)-(2,6-dimethoxyphenyl)methanone
CID 115813439
(3-bromo-4-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 115809878

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methoxyphenyl)-(7-chloro-1-benzofuran-2-yl)methanone?
The IUPAC name of (3-bromo-4-methoxyphenyl)-(7-chloro-1-benzofuran-2-yl)methanone (CID 115810874) is (3-bromo-4-methoxyphenyl)-(7-chloro-1-benzofuran-2-yl)methanone.
What is the SMILES notation for (3-bromo-4-methoxyphenyl)-(7-chloro-1-benzofuran-2-yl)methanone?
The canonical SMILES for (3-bromo-4-methoxyphenyl)-(7-chloro-1-benzofuran-2-yl)methanone is COc1ccc(C(=O)c2cc3cccc(Cl)c3o2)cc1Br.
What is the InChIKey of (3-bromo-4-methoxyphenyl)-(7-chloro-1-benzofuran-2-yl)methanone?
The InChIKey is YQJUCXSTLPUYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrClO3/c1-20-13-6-5-9(7-11(13)17)15(19)14-8-10-3-2-4-12(18)16(10)21-14/h2-8H,1H3.
What are the key properties of (3-bromo-4-methoxyphenyl)-(7-chloro-1-benzofuran-2-yl)methanone?
(3-bromo-4-methoxyphenyl)-(7-chloro-1-benzofuran-2-yl)methanone has a molecular weight of 365.61 g/mol, XLogP of 5.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-methoxyphenyl)-(7-chloro-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 115810874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).