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

C9H10O4 — CID 1738

IUPAC2-(4-hydroxy-3-methoxyphenyl)acetic acid
SMILESCOc1cc(CC(=O)O)ccc1O
InChIInChI=1S/C9H10O4/c1-13-8-4-6(5-9(11)12)2-3-7(8)10/h2-4,10H,5H2,1H3,(H,11,12)
InChIKeyQRMZSPFSDQBLIX-UHFFFAOYSA-N
MW182.17 g/mol
LogP1.03
Rot. Bonds3

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

2-(4-hydroxy-3-methoxyphenyl)acetic acid (PubChem CID 1738) has the molecular formula C9H10O4 and a molecular weight of 182.17 g/mol. Its IUPAC name is 2-(4-hydroxy-3-methoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(4-hydroxy-3-methoxyphenyl)acetic acid
PubChem CID1738
Molecular FormulaC9H10O4
Molecular Weight182.17 g/mol
Exact Mass182.06
IUPAC Name2-(4-hydroxy-3-methoxyphenyl)acetic acid
SMILESCOc1cc(CC(=O)O)ccc1O
InChIInChI=1S/C9H10O4/c1-13-8-4-6(5-9(11)12)2-3-7(8)10/h2-4,10H,5H2,1H3,(H,11,12)
InChIKeyQRMZSPFSDQBLIX-UHFFFAOYSA-N
XLogP1.03
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-3-methoxyphenyl)acetic acid?
The IUPAC name of 2-(4-hydroxy-3-methoxyphenyl)acetic acid (CID 1738) is 2-(4-hydroxy-3-methoxyphenyl)acetic acid.
What is the SMILES notation for 2-(4-hydroxy-3-methoxyphenyl)acetic acid?
The canonical SMILES for 2-(4-hydroxy-3-methoxyphenyl)acetic acid is COc1cc(CC(=O)O)ccc1O.
What is the InChIKey of 2-(4-hydroxy-3-methoxyphenyl)acetic acid?
The InChIKey is QRMZSPFSDQBLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O4/c1-13-8-4-6(5-9(11)12)2-3-7(8)10/h2-4,10H,5H2,1H3,(H,11,12).
What are the key properties of 2-(4-hydroxy-3-methoxyphenyl)acetic acid?
2-(4-hydroxy-3-methoxyphenyl)acetic acid has a molecular weight of 182.17 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-3-methoxyphenyl)acetic acid is sourced from PubChem (CID 1738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).