2-(4-chloro-7-methyl-1-benzofuran-3-yl)acetic acid

C11H9ClO3 — CID 81036837

IUPAC2-(4-chloro-7-methyl-1-benzofuran-3-yl)acetic acid
SMILESCc1ccc(Cl)c2c(CC(=O)O)coc12
InChIInChI=1S/C11H9ClO3/c1-6-2-3-8(12)10-7(4-9(13)14)5-15-11(6)10/h2-3,5H,4H2,1H3,(H,13,14)
InChIKeyZERYFPHKYRCZNE-UHFFFAOYSA-N
MW224.64 g/mol
LogP3.02
Rot. Bonds2

About 2-(4-chloro-7-methyl-1-benzofuran-3-yl)acetic acid

2-(4-chloro-7-methyl-1-benzofuran-3-yl)acetic acid (PubChem CID 81036837) has the molecular formula C11H9ClO3 and a molecular weight of 224.64 g/mol. Its IUPAC name is 2-(4-chloro-7-methyl-1-benzofuran-3-yl)acetic acid.

Molecular Properties

Compound Name2-(4-chloro-7-methyl-1-benzofuran-3-yl)acetic acid
PubChem CID81036837
Molecular FormulaC11H9ClO3
Molecular Weight224.64 g/mol
Exact Mass224.02
IUPAC Name2-(4-chloro-7-methyl-1-benzofuran-3-yl)acetic acid
SMILESCc1ccc(Cl)c2c(CC(=O)O)coc12
InChIInChI=1S/C11H9ClO3/c1-6-2-3-8(12)10-7(4-9(13)14)5-15-11(6)10/h2-3,5H,4H2,1H3,(H,13,14)
InChIKeyZERYFPHKYRCZNE-UHFFFAOYSA-N
XLogP3.02
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.64
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-2,6-dimethylphenyl)acetic acid
CID 18401133
2-(7-methoxy-6-methyl-1-benzofuran-3-yl)acetic acid
CID 131261803
2-(6-chloro-2-fluoro-3-methylphenyl)acetic acid
CID 2773689
2-[2-(4-bromophenyl)-4-chloro-7-methyl-1H-indol-3-yl]acetic acid
CID 5203529
2-(5-chloro-2,8-dimethyl-4-oxo-1H-quinolin-3-yl)acetic acid
CID 82246809
2-(4-chloro-2,3-dimethylphenyl)acetic acid
CID 66771246
2-(2,3-dichloro-4-methylphenyl)acetic acid
CID 119014032
2-(5-bromo-4,6-dimethyl-1-benzofuran-3-yl)acetic acid
CID 107725443
2-(7-chloro-4-methyl-1-benzofuran-3-yl)-N-ethylethanamine
CID 81048073
N-[2-(4,7-dichloro-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine
CID 81048233
2-(6-hydroxy-4-methyl-1-benzofuran-3-yl)acetic acid
CID 67811106
2-(4,7-dichloro-1-benzofuran-3-yl)ethanamine
CID 81047859

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-7-methyl-1-benzofuran-3-yl)acetic acid?
The IUPAC name of 2-(4-chloro-7-methyl-1-benzofuran-3-yl)acetic acid (CID 81036837) is 2-(4-chloro-7-methyl-1-benzofuran-3-yl)acetic acid.
What is the SMILES notation for 2-(4-chloro-7-methyl-1-benzofuran-3-yl)acetic acid?
The canonical SMILES for 2-(4-chloro-7-methyl-1-benzofuran-3-yl)acetic acid is Cc1ccc(Cl)c2c(CC(=O)O)coc12.
What is the InChIKey of 2-(4-chloro-7-methyl-1-benzofuran-3-yl)acetic acid?
The InChIKey is ZERYFPHKYRCZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClO3/c1-6-2-3-8(12)10-7(4-9(13)14)5-15-11(6)10/h2-3,5H,4H2,1H3,(H,13,14).
What are the key properties of 2-(4-chloro-7-methyl-1-benzofuran-3-yl)acetic acid?
2-(4-chloro-7-methyl-1-benzofuran-3-yl)acetic acid has a molecular weight of 224.64 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-7-methyl-1-benzofuran-3-yl)acetic acid is sourced from PubChem (CID 81036837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).