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

C10H12O4 — CID 14340

IUPAC3-(4-hydroxy-3-methoxyphenyl)propanoic acid
SMILESCOc1cc(CCC(=O)O)ccc1O
InChIInChI=1S/C10H12O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2,4,6,11H,3,5H2,1H3,(H,12,13)
InChIKeyBOLQJTPHPSDZHR-UHFFFAOYSA-N
MW196.20 g/mol
LogP1.42
Rot. Bonds4

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

3-(4-hydroxy-3-methoxyphenyl)propanoic acid (PubChem CID 14340) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is 3-(4-hydroxy-3-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-(4-hydroxy-3-methoxyphenyl)propanoic acid
PubChem CID14340
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name3-(4-hydroxy-3-methoxyphenyl)propanoic acid
SMILESCOc1cc(CCC(=O)O)ccc1O
InChIInChI=1S/C10H12O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2,4,6,11H,3,5H2,1H3,(H,12,13)
InChIKeyBOLQJTPHPSDZHR-UHFFFAOYSA-N
XLogP1.42
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 ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-3-methoxyphenyl)propanoic acid?
The IUPAC name of 3-(4-hydroxy-3-methoxyphenyl)propanoic acid (CID 14340) is 3-(4-hydroxy-3-methoxyphenyl)propanoic acid.
What is the SMILES notation for 3-(4-hydroxy-3-methoxyphenyl)propanoic acid?
The canonical SMILES for 3-(4-hydroxy-3-methoxyphenyl)propanoic acid is COc1cc(CCC(=O)O)ccc1O.
What is the InChIKey of 3-(4-hydroxy-3-methoxyphenyl)propanoic acid?
The InChIKey is BOLQJTPHPSDZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2,4,6,11H,3,5H2,1H3,(H,12,13).
What are the key properties of 3-(4-hydroxy-3-methoxyphenyl)propanoic acid?
3-(4-hydroxy-3-methoxyphenyl)propanoic acid has a molecular weight of 196.20 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-3-methoxyphenyl)propanoic acid is sourced from PubChem (CID 14340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).