2-(7-methoxy-6-methyl-1-benzofuran-3-yl)acetic acid

C12H12O4 — CID 131261803

IUPAC2-(7-methoxy-6-methyl-1-benzofuran-3-yl)acetic acid
SMILESCOc1c(C)ccc2c(CC(=O)O)coc12
InChIInChI=1S/C12H12O4/c1-7-3-4-9-8(5-10(13)14)6-16-12(9)11(7)15-2/h3-4,6H,5H2,1-2H3,(H,13,14)
InChIKeyNRWAMRFDTFLAKB-UHFFFAOYSA-N
MW220.22 g/mol
LogP2.38
Rot. Bonds3

About 2-(7-methoxy-6-methyl-1-benzofuran-3-yl)acetic acid

2-(7-methoxy-6-methyl-1-benzofuran-3-yl)acetic acid (PubChem CID 131261803) has the molecular formula C12H12O4 and a molecular weight of 220.22 g/mol. Its IUPAC name is 2-(7-methoxy-6-methyl-1-benzofuran-3-yl)acetic acid.

Molecular Properties

Compound Name2-(7-methoxy-6-methyl-1-benzofuran-3-yl)acetic acid
PubChem CID131261803
Molecular FormulaC12H12O4
Molecular Weight220.22 g/mol
Exact Mass220.07
IUPAC Name2-(7-methoxy-6-methyl-1-benzofuran-3-yl)acetic acid
SMILESCOc1c(C)ccc2c(CC(=O)O)coc12
InChIInChI=1S/C12H12O4/c1-7-3-4-9-8(5-10(13)14)6-16-12(9)11(7)15-2/h3-4,6H,5H2,1-2H3,(H,13,14)
InChIKeyNRWAMRFDTFLAKB-UHFFFAOYSA-N
XLogP2.38
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluoro-3-methoxy-4-methylphenyl)acetic acid
CID 171019420
(2-methoxyphenyl) 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate
CID 8778381
2-(6-fluoro-2-methoxy-3-methylphenyl)acetic acid
CID 84668066
2-(4-chloro-7-methyl-1-benzofuran-3-yl)acetic acid
CID 81036837
5-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]pentanoic acid
CID 119235240
methyl (2R)-2-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]propanoate
CID 40918319
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 8935369
N-tert-butyl-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 8779926
N'-acetyl-2-(6,7-dimethyl-1-benzofuran-3-yl)acetohydrazide
CID 17435910
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide
CID 1285216
N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 25387946
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 109388466

Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxy-6-methyl-1-benzofuran-3-yl)acetic acid?
The IUPAC name of 2-(7-methoxy-6-methyl-1-benzofuran-3-yl)acetic acid (CID 131261803) is 2-(7-methoxy-6-methyl-1-benzofuran-3-yl)acetic acid.
What is the SMILES notation for 2-(7-methoxy-6-methyl-1-benzofuran-3-yl)acetic acid?
The canonical SMILES for 2-(7-methoxy-6-methyl-1-benzofuran-3-yl)acetic acid is COc1c(C)ccc2c(CC(=O)O)coc12.
What is the InChIKey of 2-(7-methoxy-6-methyl-1-benzofuran-3-yl)acetic acid?
The InChIKey is NRWAMRFDTFLAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O4/c1-7-3-4-9-8(5-10(13)14)6-16-12(9)11(7)15-2/h3-4,6H,5H2,1-2H3,(H,13,14).
What are the key properties of 2-(7-methoxy-6-methyl-1-benzofuran-3-yl)acetic acid?
2-(7-methoxy-6-methyl-1-benzofuran-3-yl)acetic acid has a molecular weight of 220.22 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxy-6-methyl-1-benzofuran-3-yl)acetic acid is sourced from PubChem (CID 131261803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).