2-(6-methyl-1-benzofuran-3-yl)acetic acid

C11H10O3 — CID 877801

IUPAC2-(6-methyl-1-benzofuran-3-yl)acetic acid
SMILESCc1ccc2c(CC(=O)O)coc2c1
InChIInChI=1S/C11H10O3/c1-7-2-3-9-8(5-11(12)13)6-14-10(9)4-7/h2-4,6H,5H2,1H3,(H,12,13)
InChIKeyZGVSMROZRSOMIQ-UHFFFAOYSA-N
MW190.20 g/mol
LogP2.37
Rot. Bonds2

About 2-(6-methyl-1-benzofuran-3-yl)acetic acid

2-(6-methyl-1-benzofuran-3-yl)acetic acid (PubChem CID 877801) has the molecular formula C11H10O3 and a molecular weight of 190.20 g/mol. Its IUPAC name is 2-(6-methyl-1-benzofuran-3-yl)acetic acid.

Molecular Properties

Compound Name2-(6-methyl-1-benzofuran-3-yl)acetic acid
PubChem CID877801
Molecular FormulaC11H10O3
Molecular Weight190.20 g/mol
Exact Mass190.06
IUPAC Name2-(6-methyl-1-benzofuran-3-yl)acetic acid
SMILESCc1ccc2c(CC(=O)O)coc2c1
InChIInChI=1S/C11H10O3/c1-7-2-3-9-8(5-11(12)13)6-14-10(9)4-7/h2-4,6H,5H2,1H3,(H,12,13)
InChIKeyZGVSMROZRSOMIQ-UHFFFAOYSA-N
XLogP2.37
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-1-benzofuran-3-yl)acetic acid?
The IUPAC name of 2-(6-methyl-1-benzofuran-3-yl)acetic acid (CID 877801) is 2-(6-methyl-1-benzofuran-3-yl)acetic acid.
What is the SMILES notation for 2-(6-methyl-1-benzofuran-3-yl)acetic acid?
The canonical SMILES for 2-(6-methyl-1-benzofuran-3-yl)acetic acid is Cc1ccc2c(CC(=O)O)coc2c1.
What is the InChIKey of 2-(6-methyl-1-benzofuran-3-yl)acetic acid?
The InChIKey is ZGVSMROZRSOMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3/c1-7-2-3-9-8(5-11(12)13)6-14-10(9)4-7/h2-4,6H,5H2,1H3,(H,12,13).
What are the key properties of 2-(6-methyl-1-benzofuran-3-yl)acetic acid?
2-(6-methyl-1-benzofuran-3-yl)acetic acid has a molecular weight of 190.20 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-1-benzofuran-3-yl)acetic acid is sourced from PubChem (CID 877801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).