2-(4-bromo-2-methoxy-3-methylphenyl)furan

C12H11BrO2 — CID 168525781

IUPAC2-(4-bromo-2-methoxy-3-methylphenyl)furan
SMILESCOc1c(-c2ccco2)ccc(Br)c1C
InChIInChI=1S/C12H11BrO2/c1-8-10(13)6-5-9(12(8)14-2)11-4-3-7-15-11/h3-7H,1-2H3
InChIKeyILHZFRLCTFYVAJ-UHFFFAOYSA-N
MW267.12 g/mol
LogP4.03
Rot. Bonds2

About 2-(4-bromo-2-methoxy-3-methylphenyl)furan

2-(4-bromo-2-methoxy-3-methylphenyl)furan (PubChem CID 168525781) has the molecular formula C12H11BrO2 and a molecular weight of 267.12 g/mol. Its IUPAC name is 2-(4-bromo-2-methoxy-3-methylphenyl)furan.

Molecular Properties

Compound Name2-(4-bromo-2-methoxy-3-methylphenyl)furan
PubChem CID168525781
Molecular FormulaC12H11BrO2
Molecular Weight267.12 g/mol
Exact Mass265.99
IUPAC Name2-(4-bromo-2-methoxy-3-methylphenyl)furan
SMILESCOc1c(-c2ccco2)ccc(Br)c1C
InChIInChI=1S/C12H11BrO2/c1-8-10(13)6-5-9(12(8)14-2)11-4-3-7-15-11/h3-7H,1-2H3
InChIKeyILHZFRLCTFYVAJ-UHFFFAOYSA-N
XLogP4.03
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.12
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dibromo-3-methylphenyl)furan
CID 168526027
2-(2-bromo-4-methoxyphenyl)furan
CID 168524550
5-(4-bromo-2-methoxy-3-methylphenyl)furan-2-carbaldehyde
CID 169333130
2-(3-bromo-2,6-dimethylphenyl)furan
CID 168526131
2-(2-bromo-4-chloro-5-methoxyphenyl)furan
CID 168525902
4-bromo-2-(furan-2-yl)-7-methoxy-1-benzofuran
CID 86051374
5-bromo-2-(furan-2-yl)-4-methoxybenzonitrile
CID 168528041
2-(2-bromo-4-propan-2-ylphenyl)furan
CID 168524611
2-(4-bromo-5-chloro-2-methylphenyl)furan
CID 168524424
[3-acetyloxy-2-[3-(furan-2-yl)-2,6-dimethoxyphenyl]phenyl] acetate
CID 138969494
2-(2,3-difluoro-4-methylphenyl)furan
CID 168528076
7-(furan-2-yl)-4-methoxy-2,1,3-benzoxadiazole
CID 168525503

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methoxy-3-methylphenyl)furan?
The IUPAC name of 2-(4-bromo-2-methoxy-3-methylphenyl)furan (CID 168525781) is 2-(4-bromo-2-methoxy-3-methylphenyl)furan.
What is the SMILES notation for 2-(4-bromo-2-methoxy-3-methylphenyl)furan?
The canonical SMILES for 2-(4-bromo-2-methoxy-3-methylphenyl)furan is COc1c(-c2ccco2)ccc(Br)c1C.
What is the InChIKey of 2-(4-bromo-2-methoxy-3-methylphenyl)furan?
The InChIKey is ILHZFRLCTFYVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrO2/c1-8-10(13)6-5-9(12(8)14-2)11-4-3-7-15-11/h3-7H,1-2H3.
What are the key properties of 2-(4-bromo-2-methoxy-3-methylphenyl)furan?
2-(4-bromo-2-methoxy-3-methylphenyl)furan has a molecular weight of 267.12 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methoxy-3-methylphenyl)furan is sourced from PubChem (CID 168525781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).