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

C11H10O4 — CID 736818

IUPAC2-(6-methoxy-1-benzofuran-3-yl)acetic acid
SMILESCOc1ccc2c(CC(=O)O)coc2c1
InChIInChI=1S/C11H10O4/c1-14-8-2-3-9-7(4-11(12)13)6-15-10(9)5-8/h2-3,5-6H,4H2,1H3,(H,12,13)
InChIKeyQCXJFLREQGIACT-UHFFFAOYSA-N
MW206.20 g/mol
LogP2.07
Rot. Bonds3

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

2-(6-methoxy-1-benzofuran-3-yl)acetic acid (PubChem CID 736818) has the molecular formula C11H10O4 and a molecular weight of 206.20 g/mol. Its IUPAC name is 2-(6-methoxy-1-benzofuran-3-yl)acetic acid.

Molecular Properties

Compound Name2-(6-methoxy-1-benzofuran-3-yl)acetic acid
PubChem CID736818
Molecular FormulaC11H10O4
Molecular Weight206.20 g/mol
Exact Mass206.06
IUPAC Name2-(6-methoxy-1-benzofuran-3-yl)acetic acid
SMILESCOc1ccc2c(CC(=O)O)coc2c1
InChIInChI=1S/C11H10O4/c1-14-8-2-3-9-7(4-11(12)13)6-15-10(9)5-8/h2-3,5-6H,4H2,1H3,(H,12,13)
InChIKeyQCXJFLREQGIACT-UHFFFAOYSA-N
XLogP2.07
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Trimethylpsoralen
CID 5585
Bergapten
CID 2355
Psoralen
CID 6199
Isopsoralen
CID 10658
Isoimperatorin
CID 68081
Coumestrol
CID 5281707
Isobergapten
CID 68082
Bergamottin
CID 5471349
Bergaptol
CID 5280371
Visnagin
CID 6716
Psoralidin
CID 5281806
Karanjin
CID 100633

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-1-benzofuran-3-yl)acetic acid?
The IUPAC name of 2-(6-methoxy-1-benzofuran-3-yl)acetic acid (CID 736818) is 2-(6-methoxy-1-benzofuran-3-yl)acetic acid.
What is the SMILES notation for 2-(6-methoxy-1-benzofuran-3-yl)acetic acid?
The canonical SMILES for 2-(6-methoxy-1-benzofuran-3-yl)acetic acid is COc1ccc2c(CC(=O)O)coc2c1.
What is the InChIKey of 2-(6-methoxy-1-benzofuran-3-yl)acetic acid?
The InChIKey is QCXJFLREQGIACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O4/c1-14-8-2-3-9-7(4-11(12)13)6-15-10(9)5-8/h2-3,5-6H,4H2,1H3,(H,12,13).
What are the key properties of 2-(6-methoxy-1-benzofuran-3-yl)acetic acid?
2-(6-methoxy-1-benzofuran-3-yl)acetic acid has a molecular weight of 206.20 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-1-benzofuran-3-yl)acetic acid is sourced from PubChem (CID 736818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).