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

C9H10O4 — CID 9378

IUPAC2-hydroxy-3-(4-hydroxyphenyl)propanoic acid
SMILESO=C(O)C(O)Cc1ccc(O)cc1
InChIInChI=1S/C9H10O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8,10-11H,5H2,(H,12,13)
InChIKeyJVGVDSSUAVXRDY-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.38
Rot. Bonds3

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

2-hydroxy-3-(4-hydroxyphenyl)propanoic acid (PubChem CID 9378) has the molecular formula C9H10O4 and a molecular weight of 182.18 g/mol. Its IUPAC name is 2-hydroxy-3-(4-hydroxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-(4-hydroxyphenyl)propanoic acid
PubChem CID9378
Molecular FormulaC9H10O4
Molecular Weight182.18 g/mol
Exact Mass182.06
IUPAC Name2-hydroxy-3-(4-hydroxyphenyl)propanoic acid
SMILESO=C(O)C(O)Cc1ccc(O)cc1
InChIInChI=1S/C9H10O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8,10-11H,5H2,(H,12,13)
InChIKeyJVGVDSSUAVXRDY-UHFFFAOYSA-N
XLogP0.38
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(4-hydroxyphenyl)propanoic acid?
The IUPAC name of 2-hydroxy-3-(4-hydroxyphenyl)propanoic acid (CID 9378) is 2-hydroxy-3-(4-hydroxyphenyl)propanoic acid.
What is the SMILES notation for 2-hydroxy-3-(4-hydroxyphenyl)propanoic acid?
The canonical SMILES for 2-hydroxy-3-(4-hydroxyphenyl)propanoic acid is O=C(O)C(O)Cc1ccc(O)cc1.
What is the InChIKey of 2-hydroxy-3-(4-hydroxyphenyl)propanoic acid?
The InChIKey is JVGVDSSUAVXRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8,10-11H,5H2,(H,12,13).
What are the key properties of 2-hydroxy-3-(4-hydroxyphenyl)propanoic acid?
2-hydroxy-3-(4-hydroxyphenyl)propanoic acid has a molecular weight of 182.18 g/mol, XLogP of 0.38, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(4-hydroxyphenyl)propanoic acid is sourced from PubChem (CID 9378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).