2-hydroxy-2-(6-hydroxy-1-benzofuran-2-yl)acetic acid

C10H8O5 — CID 115072224

IUPAC2-hydroxy-2-(6-hydroxy-1-benzofuran-2-yl)acetic acid
SMILESO=C(O)C(O)c1cc2ccc(O)cc2o1
InChIInChI=1S/C10H8O5/c11-6-2-1-5-3-8(9(12)10(13)14)15-7(5)4-6/h1-4,9,11-12H,(H,13,14)
InChIKeyNWMNODYWTDJIMQ-UHFFFAOYSA-N
MW208.17 g/mol
LogP1.26
Rot. Bonds2

About 2-hydroxy-2-(6-hydroxy-1-benzofuran-2-yl)acetic acid

2-hydroxy-2-(6-hydroxy-1-benzofuran-2-yl)acetic acid (PubChem CID 115072224) has the molecular formula C10H8O5 and a molecular weight of 208.17 g/mol. Its IUPAC name is 2-hydroxy-2-(6-hydroxy-1-benzofuran-2-yl)acetic acid.

Molecular Properties

Compound Name2-hydroxy-2-(6-hydroxy-1-benzofuran-2-yl)acetic acid
PubChem CID115072224
Molecular FormulaC10H8O5
Molecular Weight208.17 g/mol
Exact Mass208.04
IUPAC Name2-hydroxy-2-(6-hydroxy-1-benzofuran-2-yl)acetic acid
SMILESO=C(O)C(O)c1cc2ccc(O)cc2o1
InChIInChI=1S/C10H8O5/c11-6-2-1-5-3-8(9(12)10(13)14)15-7(5)4-6/h1-4,9,11-12H,(H,13,14)
InChIKeyNWMNODYWTDJIMQ-UHFFFAOYSA-N
XLogP1.26
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.17
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(6-hydroxy-1-benzofuran-2-yl)acetic acid?
The IUPAC name of 2-hydroxy-2-(6-hydroxy-1-benzofuran-2-yl)acetic acid (CID 115072224) is 2-hydroxy-2-(6-hydroxy-1-benzofuran-2-yl)acetic acid.
What is the SMILES notation for 2-hydroxy-2-(6-hydroxy-1-benzofuran-2-yl)acetic acid?
The canonical SMILES for 2-hydroxy-2-(6-hydroxy-1-benzofuran-2-yl)acetic acid is O=C(O)C(O)c1cc2ccc(O)cc2o1.
What is the InChIKey of 2-hydroxy-2-(6-hydroxy-1-benzofuran-2-yl)acetic acid?
The InChIKey is NWMNODYWTDJIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O5/c11-6-2-1-5-3-8(9(12)10(13)14)15-7(5)4-6/h1-4,9,11-12H,(H,13,14).
What are the key properties of 2-hydroxy-2-(6-hydroxy-1-benzofuran-2-yl)acetic acid?
2-hydroxy-2-(6-hydroxy-1-benzofuran-2-yl)acetic acid has a molecular weight of 208.17 g/mol, XLogP of 1.26, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(6-hydroxy-1-benzofuran-2-yl)acetic acid is sourced from PubChem (CID 115072224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).