2-bromo-7-chloro-3,4-dimethyl-1-benzofuran

C10H8BrClO — CID 82380182

IUPAC2-bromo-7-chloro-3,4-dimethyl-1-benzofuran
SMILESCc1ccc(Cl)c2oc(Br)c(C)c12
InChIInChI=1S/C10H8BrClO/c1-5-3-4-7(12)9-8(5)6(2)10(11)13-9/h3-4H,1-2H3
InChIKeyNLFUAGOVFGETOJ-UHFFFAOYSA-N
MW259.53 g/mol
LogP4.47
Rot. Bonds

About 2-bromo-7-chloro-3,4-dimethyl-1-benzofuran

2-bromo-7-chloro-3,4-dimethyl-1-benzofuran (PubChem CID 82380182) has the molecular formula C10H8BrClO and a molecular weight of 259.53 g/mol. Its IUPAC name is 2-bromo-7-chloro-3,4-dimethyl-1-benzofuran.

Molecular Properties

Compound Name2-bromo-7-chloro-3,4-dimethyl-1-benzofuran
PubChem CID82380182
Molecular FormulaC10H8BrClO
Molecular Weight259.53 g/mol
Exact Mass257.94
IUPAC Name2-bromo-7-chloro-3,4-dimethyl-1-benzofuran
SMILESCc1ccc(Cl)c2oc(Br)c(C)c12
InChIInChI=1S/C10H8BrClO/c1-5-3-4-7(12)9-8(5)6(2)10(11)13-9/h3-4H,1-2H3
InChIKeyNLFUAGOVFGETOJ-UHFFFAOYSA-N
XLogP4.47
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.53
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-bromo-7-chloro-3,4-dimethyl-1-benzofuran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,7-dichloro-4-methyl-1-benzofuran-3-carbaldehyde
CID 96601537
4-bromo-7-chloro-3-methyl-1-benzofuran
CID 114722812
1-(7-chloro-3-ethyl-4-methyl-1-benzofuran-2-yl)-N-methylmethanamine
CID 104843076
8-chloro-11-methyl-[1]benzofuro[3,2-f]isoquinoline
CID 163959386
N-[(3-tert-butyl-7-chloro-4-methyl-1-benzofuran-2-yl)methyl]ethanamine
CID 114376949
N-[(7-chloro-4-methyl-3-propan-2-yl-1-benzofuran-2-yl)methyl]ethanamine
CID 114376933
3-bromo-7-chloro-4,6-dimethyldibenzofuran
CID 62707291
7-chloro-4-methyl-1,3-benzoxazol-2-amine
CID 82229807
4-bromo-8-chloro-2,5-dimethylquinazoline
CID 106583859
1-bromo-5-chloro-2-methylxanthen-9-one
CID 174940111
1-bromo-4-chloro-2-fluoro-3-methylbenzene
CID 13340108
(7-chloro-4-methyl-1-benzofuran-2-yl)methanol
CID 65439177

Frequently Asked Questions

What is the IUPAC name of 2-bromo-7-chloro-3,4-dimethyl-1-benzofuran?
The IUPAC name of 2-bromo-7-chloro-3,4-dimethyl-1-benzofuran (CID 82380182) is 2-bromo-7-chloro-3,4-dimethyl-1-benzofuran.
What is the SMILES notation for 2-bromo-7-chloro-3,4-dimethyl-1-benzofuran?
The canonical SMILES for 2-bromo-7-chloro-3,4-dimethyl-1-benzofuran is Cc1ccc(Cl)c2oc(Br)c(C)c12.
What is the InChIKey of 2-bromo-7-chloro-3,4-dimethyl-1-benzofuran?
The InChIKey is NLFUAGOVFGETOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClO/c1-5-3-4-7(12)9-8(5)6(2)10(11)13-9/h3-4H,1-2H3.
What are the key properties of 2-bromo-7-chloro-3,4-dimethyl-1-benzofuran?
2-bromo-7-chloro-3,4-dimethyl-1-benzofuran has a molecular weight of 259.53 g/mol, XLogP of 4.47, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-7-chloro-3,4-dimethyl-1-benzofuran is sourced from PubChem (CID 82380182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).