2-(2-bromo-6,7-dimethyl-1-benzofuran-3-yl)acetic acid

C12H11BrO3 — CID 4736828

IUPAC2-(2-bromo-6,7-dimethyl-1-benzofuran-3-yl)acetic acid
SMILESCc1ccc2c(CC(=O)O)c(Br)oc2c1C
InChIInChI=1S/C12H11BrO3/c1-6-3-4-8-9(5-10(14)15)12(13)16-11(8)7(6)2/h3-4H,5H2,1-2H3,(H,14,15)
InChIKeyGJBPGZZBWLELKU-UHFFFAOYSA-N
MW283.12 g/mol
LogP3.44
Rot. Bonds2

About 2-(2-bromo-6,7-dimethyl-1-benzofuran-3-yl)acetic acid

2-(2-bromo-6,7-dimethyl-1-benzofuran-3-yl)acetic acid (PubChem CID 4736828) has the molecular formula C12H11BrO3 and a molecular weight of 283.12 g/mol. Its IUPAC name is 2-(2-bromo-6,7-dimethyl-1-benzofuran-3-yl)acetic acid.

Molecular Properties

Compound Name2-(2-bromo-6,7-dimethyl-1-benzofuran-3-yl)acetic acid
PubChem CID4736828
Molecular FormulaC12H11BrO3
Molecular Weight283.12 g/mol
Exact Mass281.99
IUPAC Name2-(2-bromo-6,7-dimethyl-1-benzofuran-3-yl)acetic acid
SMILESCc1ccc2c(CC(=O)O)c(Br)oc2c1C
InChIInChI=1S/C12H11BrO3/c1-6-3-4-8-9(5-10(14)15)12(13)16-11(8)7(6)2/h3-4H,5H2,1-2H3,(H,14,15)
InChIKeyGJBPGZZBWLELKU-UHFFFAOYSA-N
XLogP3.44
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-bromo-2,3-dimethylphenyl)acetic acid
CID 84703622
2-(5,6-dimethyl-9-oxoxanthen-1-yl)acetic acid
CID 24847680
2-(2-bromo-5-fluoro-6-methyl-1-benzofuran-3-yl)acetic acid
CID 97036614
3-bromo-4,7,8-trimethylchromen-2-one
CID 18801980
2-(2-acetyl-7-methyl-1-benzofuran-3-yl)acetic acid
CID 96599242
4-(bromomethyl)-7,8-dimethylchromen-2-one
CID 91484430
2-(7,8-dihydroxy-4-methyl-2-oxochromen-3-yl)acetic acid
CID 5498524
2-(3-chloro-2,6-dimethylphenyl)acetic acid
CID 18401133
2-(2-bromo-6-methylphenyl)acetic acid
CID 84736031
2-(3,4-dimethyl-2-sulfanylphenyl)acetic acid
CID 91874745
2-(6-chloro-2-fluoro-3-methylphenyl)acetic acid
CID 2773689
propanoic acid;1,2,3,4-tetramethylbenzene
CID 23621081

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-6,7-dimethyl-1-benzofuran-3-yl)acetic acid?
The IUPAC name of 2-(2-bromo-6,7-dimethyl-1-benzofuran-3-yl)acetic acid (CID 4736828) is 2-(2-bromo-6,7-dimethyl-1-benzofuran-3-yl)acetic acid.
What is the SMILES notation for 2-(2-bromo-6,7-dimethyl-1-benzofuran-3-yl)acetic acid?
The canonical SMILES for 2-(2-bromo-6,7-dimethyl-1-benzofuran-3-yl)acetic acid is Cc1ccc2c(CC(=O)O)c(Br)oc2c1C.
What is the InChIKey of 2-(2-bromo-6,7-dimethyl-1-benzofuran-3-yl)acetic acid?
The InChIKey is GJBPGZZBWLELKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrO3/c1-6-3-4-8-9(5-10(14)15)12(13)16-11(8)7(6)2/h3-4H,5H2,1-2H3,(H,14,15).
What are the key properties of 2-(2-bromo-6,7-dimethyl-1-benzofuran-3-yl)acetic acid?
2-(2-bromo-6,7-dimethyl-1-benzofuran-3-yl)acetic acid has a molecular weight of 283.12 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-6,7-dimethyl-1-benzofuran-3-yl)acetic acid is sourced from PubChem (CID 4736828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).