2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetic acid

C12H14O4 — CID 83890473

IUPAC2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetic acid
SMILESCOc1cc2c(cc1CC(=O)O)OC(C)C2
InChIInChI=1S/C12H14O4/c1-7-3-8-4-10(15-2)9(6-12(13)14)5-11(8)16-7/h4-5,7H,3,6H2,1-2H3,(H,13,14)
InChIKeyJTHBHYLLAGDYMU-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.65
Rot. Bonds3

About 2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetic acid

2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetic acid (PubChem CID 83890473) has the molecular formula C12H14O4 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetic acid.

Molecular Properties

Compound Name2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetic acid
PubChem CID83890473
Molecular FormulaC12H14O4
Molecular Weight222.24 g/mol
Exact Mass222.09
IUPAC Name2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetic acid
SMILESCOc1cc2c(cc1CC(=O)O)OC(C)C2
InChIInChI=1S/C12H14O4/c1-7-3-8-4-10(15-2)9(6-12(13)14)5-11(8)16-7/h4-5,7H,3,6H2,1-2H3,(H,13,14)
InChIKeyJTHBHYLLAGDYMU-UHFFFAOYSA-N
XLogP1.65
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]propanoic acid
CID 115349492
2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethanamine
CID 3951670
2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]acetamide
CID 78911544
2-formamido-3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)propanoic acid
CID 115349448
N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]but-2-ynamide
CID 166405428
4-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 119948541
3-(dimethylamino)-3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)propanoic acid
CID 115350104
3-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-N,N-dimethylpropanamide
CID 78989547
(2R)-2-amino-N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]propanamide;hydrochloride
CID 120873345
4-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)butan-1-amine
CID 115349672
ethyl 2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]propanoate
CID 115282644
5-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]pyrazine-2-carboxylic acid
CID 122054490

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetic acid?
The IUPAC name of 2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetic acid (CID 83890473) is 2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetic acid.
What is the SMILES notation for 2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetic acid?
The canonical SMILES for 2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetic acid is COc1cc2c(cc1CC(=O)O)OC(C)C2.
What is the InChIKey of 2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetic acid?
The InChIKey is JTHBHYLLAGDYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O4/c1-7-3-8-4-10(15-2)9(6-12(13)14)5-11(8)16-7/h4-5,7H,3,6H2,1-2H3,(H,13,14).
What are the key properties of 2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetic acid?
2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetic acid has a molecular weight of 222.24 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetic acid is sourced from PubChem (CID 83890473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).