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-(6-Methyl-1-benzofuran-3-yl)acetic acid
CID 877801
2-(6,7-Dimethyl-1-benzofuran-3-yl)acetic acid
CID 2113901
2-(1-Benzofuran-3-yl)acetic acid
CID 2762940
4-Chloro-3-(5-formylfuran-2-yl)benzoic acid
CID 886566
2-(6-Ethyl-1-benzofuran-3-yl)acetic acid
CID 2393677
6-Chloro-3-methyl-1-benzofuran-2-carboxylic acid
CID 13044634
Propyl 2-chloro-5-(5-formyl-2-furyl)benzoate
CID 2271723
2-(5-Methyl-1-benzofuran-3-yl)acetic acid
CID 4736977
6-Chloro-1-benzofuran-7-carboxylic acid
CID 22140746
Isopropyl 2-chloro-5-(5-formyl-2-furyl)benzoate
CID 806836
2-(5-Phenyl-1-benzofuran-3-yl)acetic acid
CID 9158972
2-(5-(Propan-2-yl)-1-benzofuran-3-yl)acetic acid
CID 4737022

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).