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

C10H12O4 — CID 14868260

IUPAC2-hydroxy-3-(4-methoxyphenyl)propanoic acid
SMILESCOc1ccc(CC(O)C(=O)O)cc1
InChIInChI=1S/C10H12O4/c1-14-8-4-2-7(3-5-8)6-9(11)10(12)13/h2-5,9,11H,6H2,1H3,(H,12,13)
InChIKeyGEDLJGYFEOYKEG-UHFFFAOYSA-N
MW196.20 g/mol
LogP0.68
Rot. Bonds4

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

2-hydroxy-3-(4-methoxyphenyl)propanoic acid (PubChem CID 14868260) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is 2-hydroxy-3-(4-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-(4-methoxyphenyl)propanoic acid
PubChem CID14868260
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name2-hydroxy-3-(4-methoxyphenyl)propanoic acid
SMILESCOc1ccc(CC(O)C(=O)O)cc1
InChIInChI=1S/C10H12O4/c1-14-8-4-2-7(3-5-8)6-9(11)10(12)13/h2-5,9,11H,6H2,1H3,(H,12,13)
InChIKeyGEDLJGYFEOYKEG-UHFFFAOYSA-N
XLogP0.68
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(4-methoxyphenyl)propanoic acid?
The IUPAC name of 2-hydroxy-3-(4-methoxyphenyl)propanoic acid (CID 14868260) is 2-hydroxy-3-(4-methoxyphenyl)propanoic acid.
What is the SMILES notation for 2-hydroxy-3-(4-methoxyphenyl)propanoic acid?
The canonical SMILES for 2-hydroxy-3-(4-methoxyphenyl)propanoic acid is COc1ccc(CC(O)C(=O)O)cc1.
What is the InChIKey of 2-hydroxy-3-(4-methoxyphenyl)propanoic acid?
The InChIKey is GEDLJGYFEOYKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4/c1-14-8-4-2-7(3-5-8)6-9(11)10(12)13/h2-5,9,11H,6H2,1H3,(H,12,13).
What are the key properties of 2-hydroxy-3-(4-methoxyphenyl)propanoic acid?
2-hydroxy-3-(4-methoxyphenyl)propanoic acid has a molecular weight of 196.20 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(4-methoxyphenyl)propanoic acid is sourced from PubChem (CID 14868260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).