2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid

C9H10O5 — CID 1245

IUPAC2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid
SMILESCOc1cc(C(O)C(=O)O)ccc1O
InChIInChI=1S/C9H10O5/c1-14-7-4-5(2-3-6(7)10)8(11)9(12)13/h2-4,8,10-11H,1H3,(H,12,13)
InChIKeyCGQCWMIAEPEHNQ-UHFFFAOYSA-N
MW198.17 g/mol
LogP0.52
Rot. Bonds3

About 2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid

2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid (PubChem CID 1245) has the molecular formula C9H10O5 and a molecular weight of 198.17 g/mol. Its IUPAC name is 2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid
PubChem CID1245
Molecular FormulaC9H10O5
Molecular Weight198.17 g/mol
Exact Mass198.05
IUPAC Name2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid
SMILESCOc1cc(C(O)C(=O)O)ccc1O
InChIInChI=1S/C9H10O5/c1-14-7-4-5(2-3-6(7)10)8(11)9(12)13/h2-4,8,10-11H,1H3,(H,12,13)
InChIKeyCGQCWMIAEPEHNQ-UHFFFAOYSA-N
XLogP0.52
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.17
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid?
The IUPAC name of 2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid (CID 1245) is 2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid.
What is the SMILES notation for 2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid?
The canonical SMILES for 2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid is COc1cc(C(O)C(=O)O)ccc1O.
What is the InChIKey of 2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid?
The InChIKey is CGQCWMIAEPEHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O5/c1-14-7-4-5(2-3-6(7)10)8(11)9(12)13/h2-4,8,10-11H,1H3,(H,12,13).
What are the key properties of 2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid?
2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid has a molecular weight of 198.17 g/mol, XLogP of 0.52, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid is sourced from PubChem (CID 1245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).