5-bromo-3-methoxy-1-benzofuran

C9H7BrO2 — CID 83823580

IUPAC5-bromo-3-methoxy-1-benzofuran
SMILESCOc1coc2ccc(Br)cc12
InChIInChI=1S/C9H7BrO2/c1-11-9-5-12-8-3-2-6(10)4-7(8)9/h2-5H,1H3
InChIKeyNMWXQKLCBOUIAQ-UHFFFAOYSA-N
MW227.06 g/mol
LogP3.20
Rot. Bonds1

About 5-bromo-3-methoxy-1-benzofuran

5-bromo-3-methoxy-1-benzofuran (PubChem CID 83823580) has the molecular formula C9H7BrO2 and a molecular weight of 227.06 g/mol. Its IUPAC name is 5-bromo-3-methoxy-1-benzofuran.

Molecular Properties

Compound Name5-bromo-3-methoxy-1-benzofuran
PubChem CID83823580
Molecular FormulaC9H7BrO2
Molecular Weight227.06 g/mol
Exact Mass225.96
IUPAC Name5-bromo-3-methoxy-1-benzofuran
SMILESCOc1coc2ccc(Br)cc12
InChIInChI=1S/C9H7BrO2/c1-11-9-5-12-8-3-2-6(10)4-7(8)9/h2-5H,1H3
InChIKeyNMWXQKLCBOUIAQ-UHFFFAOYSA-N
XLogP3.20
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.06
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-bromo-3-methoxy-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

5-bromo-3-(4-methoxyphenyl)-1-benzofuran
CID 58123254
5-bromo-3-(1,1-difluoroethyl)-1-benzofuran
CID 84710327
(5-bromo-1-benzofuran-3-yl)methanol;ethane
CID 156725313
5-bromo-3-(trifluoromethyl)-1-benzofuran
CID 71669158
6-bromo-4-oxochromene-3-carboxylic acid
CID 2756898
[acetyloxy-(6-bromo-4-oxochromen-3-yl)methyl] acetate
CID 139223123
3-bromo-6,7-dimethoxychromen-4-one
CID 67762458
3-methoxyfuro[3,2-g]chromen-7-one
CID 12896811
5-bromo-3-(trifluoromethylsulfanyl)-1-benzofuran
CID 132580628
6-bromo-2-methoxychromen-4-one
CID 54016071
2-amino-6-bromo-3-(3,4-dimethoxyphenyl)chromen-4-one
CID 12710979
6-bromo-3-(4-methylphenyl)sulfonylchromen-4-one
CID 154714736

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methoxy-1-benzofuran?
The IUPAC name of 5-bromo-3-methoxy-1-benzofuran (CID 83823580) is 5-bromo-3-methoxy-1-benzofuran.
What is the SMILES notation for 5-bromo-3-methoxy-1-benzofuran?
The canonical SMILES for 5-bromo-3-methoxy-1-benzofuran is COc1coc2ccc(Br)cc12.
What is the InChIKey of 5-bromo-3-methoxy-1-benzofuran?
The InChIKey is NMWXQKLCBOUIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrO2/c1-11-9-5-12-8-3-2-6(10)4-7(8)9/h2-5H,1H3.
What are the key properties of 5-bromo-3-methoxy-1-benzofuran?
5-bromo-3-methoxy-1-benzofuran has a molecular weight of 227.06 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methoxy-1-benzofuran is sourced from PubChem (CID 83823580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).