4-bromo-7-chloro-3-methyl-1-benzofuran

C9H6BrClO — CID 114722812

IUPAC4-bromo-7-chloro-3-methyl-1-benzofuran
SMILESCc1coc2c(Cl)ccc(Br)c12
InChIInChI=1S/C9H6BrClO/c1-5-4-12-9-7(11)3-2-6(10)8(5)9/h2-4H,1H3
InChIKeyJOWUSHPFFMDGPV-UHFFFAOYSA-N
MW245.50 g/mol
LogP4.16
Rot. Bonds

About 4-bromo-7-chloro-3-methyl-1-benzofuran

4-bromo-7-chloro-3-methyl-1-benzofuran (PubChem CID 114722812) has the molecular formula C9H6BrClO and a molecular weight of 245.50 g/mol. Its IUPAC name is 4-bromo-7-chloro-3-methyl-1-benzofuran.

Molecular Properties

Compound Name4-bromo-7-chloro-3-methyl-1-benzofuran
PubChem CID114722812
Molecular FormulaC9H6BrClO
Molecular Weight245.50 g/mol
Exact Mass243.93
IUPAC Name4-bromo-7-chloro-3-methyl-1-benzofuran
SMILESCc1coc2c(Cl)ccc(Br)c12
InChIInChI=1S/C9H6BrClO/c1-5-4-12-9-7(11)3-2-6(10)8(5)9/h2-4H,1H3
InChIKeyJOWUSHPFFMDGPV-UHFFFAOYSA-N
XLogP4.16
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.50
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromo-7-chloro-1-benzofuran-3-yl)-N-ethylethanamine
CID 81049786
7-chloro-3-methyl-1-benzofuran
CID 67275578
2-bromo-7-chloro-3,4-dimethyl-1-benzofuran
CID 82380182
2-(4-chloro-7-methyl-1-benzofuran-3-yl)acetic acid
CID 81036837
6-chloro-4,9-dimethylfuro[2,3-h]chromen-2-one
CID 102406727
N-[2-(4,7-dichloro-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine
CID 81048233
7-bromo-4-chloro-3-methyl-1H-indole
CID 69463982
3-bromo-6-chloro-7-fluoro-1-benzofuran
CID 146082035
3-bromo-7-chloro-4,6-dimethyldibenzofuran
CID 62707291
3-bromo-6-chloro-1-benzofuran-7-amine
CID 22591482
ethyl 4-bromo-7-methyl-1-benzofuran-3-carboxylate
CID 107287190
3-bromo-8-chlorochromen-4-one
CID 175669775

Frequently Asked Questions

What is the IUPAC name of 4-bromo-7-chloro-3-methyl-1-benzofuran?
The IUPAC name of 4-bromo-7-chloro-3-methyl-1-benzofuran (CID 114722812) is 4-bromo-7-chloro-3-methyl-1-benzofuran.
What is the SMILES notation for 4-bromo-7-chloro-3-methyl-1-benzofuran?
The canonical SMILES for 4-bromo-7-chloro-3-methyl-1-benzofuran is Cc1coc2c(Cl)ccc(Br)c12.
What is the InChIKey of 4-bromo-7-chloro-3-methyl-1-benzofuran?
The InChIKey is JOWUSHPFFMDGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClO/c1-5-4-12-9-7(11)3-2-6(10)8(5)9/h2-4H,1H3.
What are the key properties of 4-bromo-7-chloro-3-methyl-1-benzofuran?
4-bromo-7-chloro-3-methyl-1-benzofuran has a molecular weight of 245.50 g/mol, XLogP of 4.16, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-7-chloro-3-methyl-1-benzofuran is sourced from PubChem (CID 114722812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).