(4-bromophenyl)-(7-chloro-1-benzofuran-2-yl)methanone

C15H8BrClO2 — CID 112614525

IUPAC(4-bromophenyl)-(7-chloro-1-benzofuran-2-yl)methanone
SMILESO=C(c1ccc(Br)cc1)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C15H8BrClO2/c16-11-6-4-9(5-7-11)14(18)13-8-10-2-1-3-12(17)15(10)19-13/h1-8H
InChIKeyLZSJRQYHMWXNPI-UHFFFAOYSA-N
MW335.58 g/mol
LogP5.08
Rot. Bonds2

About (4-bromophenyl)-(7-chloro-1-benzofuran-2-yl)methanone

(4-bromophenyl)-(7-chloro-1-benzofuran-2-yl)methanone (PubChem CID 112614525) has the molecular formula C15H8BrClO2 and a molecular weight of 335.58 g/mol. Its IUPAC name is (4-bromophenyl)-(7-chloro-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name(4-bromophenyl)-(7-chloro-1-benzofuran-2-yl)methanone
PubChem CID112614525
Molecular FormulaC15H8BrClO2
Molecular Weight335.58 g/mol
Exact Mass333.94
IUPAC Name(4-bromophenyl)-(7-chloro-1-benzofuran-2-yl)methanone
SMILESO=C(c1ccc(Br)cc1)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C15H8BrClO2/c16-11-6-4-9(5-7-11)14(18)13-8-10-2-1-3-12(17)15(10)19-13/h1-8H
InChIKeyLZSJRQYHMWXNPI-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
(3-bromo-4-methoxyphenyl)-(7-chloro-1-benzofuran-2-yl)methanone
CID 115810874
(7-chloro-1-benzofuran-2-yl)-(3,4,5-trifluorophenyl)methanone
CID 114725112
(7-chloro-1-benzofuran-2-yl)-(3,5-dibromo-2-pyridinyl)methanone
CID 114726081
(7-chloro-1-benzofuran-2-yl)-(3-chloro-2-fluorophenyl)methanone
CID 114725319
(5-bromo-2-chlorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 115809828
(3-bromo-2-pyridinyl)-(7-chloro-1-benzofuran-2-yl)methanone
CID 114726075
(7-chloro-1-benzofuran-2-yl)-(2,3-dimethylphenyl)methanone
CID 115810708
(7-bromo-1-benzofuran-2-yl)-(3-chlorophenyl)methanone
CID 63547938
(7-chloro-1-benzofuran-2-yl)-(4-chloro-2,5-difluorophenyl)methanone
CID 115810891
(7-chloro-1-benzofuran-2-yl)-(5-fluoro-3-pyridinyl)methanone
CID 105133326
(4-bromophenyl)-(5,7-dibromo-1-benzofuran-2-yl)methanone
CID 2728236

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-(7-chloro-1-benzofuran-2-yl)methanone?
The IUPAC name of (4-bromophenyl)-(7-chloro-1-benzofuran-2-yl)methanone (CID 112614525) is (4-bromophenyl)-(7-chloro-1-benzofuran-2-yl)methanone.
What is the SMILES notation for (4-bromophenyl)-(7-chloro-1-benzofuran-2-yl)methanone?
The canonical SMILES for (4-bromophenyl)-(7-chloro-1-benzofuran-2-yl)methanone is O=C(c1ccc(Br)cc1)c1cc2cccc(Cl)c2o1.
What is the InChIKey of (4-bromophenyl)-(7-chloro-1-benzofuran-2-yl)methanone?
The InChIKey is LZSJRQYHMWXNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrClO2/c16-11-6-4-9(5-7-11)14(18)13-8-10-2-1-3-12(17)15(10)19-13/h1-8H.
What are the key properties of (4-bromophenyl)-(7-chloro-1-benzofuran-2-yl)methanone?
(4-bromophenyl)-(7-chloro-1-benzofuran-2-yl)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 (4-bromophenyl)-(7-chloro-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 112614525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).