2-[(3R)-4-methoxy-2,3-dihydro-1-benzofuran-3-yl]acetic acid

C11H12O4 — CID 129462509

IUPAC2-[(3R)-4-methoxy-2,3-dihydro-1-benzofuran-3-yl]acetic acid
SMILESCOc1cccc2c1[C@@H](CC(=O)O)CO2
InChIInChI=1S/C11H12O4/c1-14-8-3-2-4-9-11(8)7(6-15-9)5-10(12)13/h2-4,7H,5-6H2,1H3,(H,12,13)/t7-/m0/s1
InChIKeyPUZKYLCWENTJNY-ZETCQYMHSA-N
MW208.21 g/mol
LogP1.65
Rot. Bonds3

About 2-[(3R)-4-methoxy-2,3-dihydro-1-benzofuran-3-yl]acetic acid

2-[(3R)-4-methoxy-2,3-dihydro-1-benzofuran-3-yl]acetic acid (PubChem CID 129462509) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is 2-[(3R)-4-methoxy-2,3-dihydro-1-benzofuran-3-yl]acetic acid.

Molecular Properties

Compound Name2-[(3R)-4-methoxy-2,3-dihydro-1-benzofuran-3-yl]acetic acid
PubChem CID129462509
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Name2-[(3R)-4-methoxy-2,3-dihydro-1-benzofuran-3-yl]acetic acid
SMILESCOc1cccc2c1[C@@H](CC(=O)O)CO2
InChIInChI=1S/C11H12O4/c1-14-8-3-2-4-9-11(8)7(6-15-9)5-10(12)13/h2-4,7H,5-6H2,1H3,(H,12,13)/t7-/m0/s1
InChIKeyPUZKYLCWENTJNY-ZETCQYMHSA-N
XLogP1.65
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(3R)-4-methoxy-2,3-dihydro-1-benzofuran-3-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

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-4-methoxy-2,3-dihydro-1-benzofuran-3-yl]acetic acid?
The IUPAC name of 2-[(3R)-4-methoxy-2,3-dihydro-1-benzofuran-3-yl]acetic acid (CID 129462509) is 2-[(3R)-4-methoxy-2,3-dihydro-1-benzofuran-3-yl]acetic acid.
What is the SMILES notation for 2-[(3R)-4-methoxy-2,3-dihydro-1-benzofuran-3-yl]acetic acid?
The canonical SMILES for 2-[(3R)-4-methoxy-2,3-dihydro-1-benzofuran-3-yl]acetic acid is COc1cccc2c1[C@@H](CC(=O)O)CO2.
What is the InChIKey of 2-[(3R)-4-methoxy-2,3-dihydro-1-benzofuran-3-yl]acetic acid?
The InChIKey is PUZKYLCWENTJNY-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H12O4/c1-14-8-3-2-4-9-11(8)7(6-15-9)5-10(12)13/h2-4,7H,5-6H2,1H3,(H,12,13)/t7-/m0/s1.
What are the key properties of 2-[(3R)-4-methoxy-2,3-dihydro-1-benzofuran-3-yl]acetic acid?
2-[(3R)-4-methoxy-2,3-dihydro-1-benzofuran-3-yl]acetic acid has a molecular weight of 208.21 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-[(3R)-4-methoxy-2,3-dihydro-1-benzofuran-3-yl]acetic acid is sourced from PubChem (CID 129462509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).