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

C9H10O4 — CID 22056978

IUPAC2-hydroxy-2-(4-hydroxyphenyl)propanoic acid
SMILESCC(O)(C(=O)O)c1ccc(O)cc1
InChIInChI=1S/C9H10O4/c1-9(13,8(11)12)6-2-4-7(10)5-3-6/h2-5,10,13H,1H3,(H,11,12)
InChIKeyHXIPUYVSSGKLFF-UHFFFAOYSA-N
MW182.17 g/mol
LogP0.68
Rot. Bonds2

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

2-hydroxy-2-(4-hydroxyphenyl)propanoic acid (PubChem CID 22056978) has the molecular formula C9H10O4 and a molecular weight of 182.17 g/mol. Its IUPAC name is 2-hydroxy-2-(4-hydroxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-(4-hydroxyphenyl)propanoic acid
PubChem CID22056978
Molecular FormulaC9H10O4
Molecular Weight182.17 g/mol
Exact Mass182.06
IUPAC Name2-hydroxy-2-(4-hydroxyphenyl)propanoic acid
SMILESCC(O)(C(=O)O)c1ccc(O)cc1
InChIInChI=1S/C9H10O4/c1-9(13,8(11)12)6-2-4-7(10)5-3-6/h2-5,10,13H,1H3,(H,11,12)
InChIKeyHXIPUYVSSGKLFF-UHFFFAOYSA-N
XLogP0.68
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-hydroxy-2-(4-hydroxyphenyl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-hydroxy-2-(4-methylphenyl)propanoic acid
CID 21123439
(2R)-2-hydroxy-2-phenylpropanoic acid
CID 736858
2-(4-chlorophenyl)-2-hydroxypropanoic acid
CID 10013044
2-hydroxy-2-methylpropanoic acid;2-hydroxy-2-phenylpropanoic acid
CID 70572731
methyl 2-hydroxy-2-(4-hydroxyphenyl)propanoate
CID 572033
2-hydroxy-2-(4-propan-2-ylphenyl)propanoic acid
CID 19855513
2-(4-cyanophenyl)-2-hydroxypropanoic acid
CID 11513906
2-hydroxy-2-(4-pentan-3-ylphenyl)propanoic acid
CID 59034872
2-(4-hydroxyphenyl)-2-(methylamino)propanoic acid
CID 43753640
1-(4-hydroxyphenyl)ethane-1,1-diol
CID 137436479
(2S)-2-hydroxy-2-(4-phenylmethoxyphenyl)propanoic acid
CID 131871320
2-hydroxy-2-[4-(trifluoromethylsulfonyloxy)phenyl]propanoic acid
CID 101487578

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(4-hydroxyphenyl)propanoic acid?
The IUPAC name of 2-hydroxy-2-(4-hydroxyphenyl)propanoic acid (CID 22056978) is 2-hydroxy-2-(4-hydroxyphenyl)propanoic acid.
What is the SMILES notation for 2-hydroxy-2-(4-hydroxyphenyl)propanoic acid?
The canonical SMILES for 2-hydroxy-2-(4-hydroxyphenyl)propanoic acid is CC(O)(C(=O)O)c1ccc(O)cc1.
What is the InChIKey of 2-hydroxy-2-(4-hydroxyphenyl)propanoic acid?
The InChIKey is HXIPUYVSSGKLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O4/c1-9(13,8(11)12)6-2-4-7(10)5-3-6/h2-5,10,13H,1H3,(H,11,12).
What are the key properties of 2-hydroxy-2-(4-hydroxyphenyl)propanoic acid?
2-hydroxy-2-(4-hydroxyphenyl)propanoic acid has a molecular weight of 182.17 g/mol, XLogP of 0.68, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(4-hydroxyphenyl)propanoic acid is sourced from PubChem (CID 22056978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).