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

C11H12O4 — CID 57077011

IUPAC2-(6-methoxy-2,3-dihydro-1-benzofuran-3-yl)acetic acid
SMILESCOc1ccc2c(c1)OCC2CC(=O)O
InChIInChI=1S/C11H12O4/c1-14-8-2-3-9-7(4-11(12)13)6-15-10(9)5-8/h2-3,5,7H,4,6H2,1H3,(H,12,13)
InChIKeyUPXQPBXFERQVDB-UHFFFAOYSA-N
MW208.21 g/mol
LogP1.65
Rot. Bonds3

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

2-(6-methoxy-2,3-dihydro-1-benzofuran-3-yl)acetic acid (PubChem CID 57077011) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is 2-(6-methoxy-2,3-dihydro-1-benzofuran-3-yl)acetic acid.

Molecular Properties

Compound Name2-(6-methoxy-2,3-dihydro-1-benzofuran-3-yl)acetic acid
PubChem CID57077011
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Name2-(6-methoxy-2,3-dihydro-1-benzofuran-3-yl)acetic acid
SMILESCOc1ccc2c(c1)OCC2CC(=O)O
InChIInChI=1S/C11H12O4/c1-14-8-2-3-9-7(4-11(12)13)6-15-10(9)5-8/h2-3,5,7H,4,6H2,1H3,(H,12,13)
InChIKeyUPXQPBXFERQVDB-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-2,3-dihydro-1-benzofuran-3-yl)acetic acid?
The IUPAC name of 2-(6-methoxy-2,3-dihydro-1-benzofuran-3-yl)acetic acid (CID 57077011) is 2-(6-methoxy-2,3-dihydro-1-benzofuran-3-yl)acetic acid.
What is the SMILES notation for 2-(6-methoxy-2,3-dihydro-1-benzofuran-3-yl)acetic acid?
The canonical SMILES for 2-(6-methoxy-2,3-dihydro-1-benzofuran-3-yl)acetic acid is COc1ccc2c(c1)OCC2CC(=O)O.
What is the InChIKey of 2-(6-methoxy-2,3-dihydro-1-benzofuran-3-yl)acetic acid?
The InChIKey is UPXQPBXFERQVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4/c1-14-8-2-3-9-7(4-11(12)13)6-15-10(9)5-8/h2-3,5,7H,4,6H2,1H3,(H,12,13).
What are the key properties of 2-(6-methoxy-2,3-dihydro-1-benzofuran-3-yl)acetic acid?
2-(6-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-(6-methoxy-2,3-dihydro-1-benzofuran-3-yl)acetic acid is sourced from PubChem (CID 57077011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).