2-hydroxy-2-phenylacetic acid;2-hydroxy-2-phenylpropanoic acid

C17H18O6 — CID 22438373

IUPAC2-hydroxy-2-phenylacetic acid;2-hydroxy-2-phenylpropanoic acid
SMILESCC(O)(C(=O)O)c1ccccc1.O=C(O)C(O)c1ccccc1
InChIInChI=1S/C9H10O3.C8H8O3/c1-9(12,8(10)11)7-5-3-2-4-6-7;9-7(8(10)11)6-4-2-1-3-5-6/h2-6,12H,1H3,(H,10,11);1-5,7,9H,(H,10,11)
InChIKeyYOKFUOHZNXGHGC-UHFFFAOYSA-N
MW318.33 g/mol
LogP1.78
Rot. Bonds4

About 2-hydroxy-2-phenylacetic acid;2-hydroxy-2-phenylpropanoic acid

2-hydroxy-2-phenylacetic acid;2-hydroxy-2-phenylpropanoic acid (PubChem CID 22438373) has the molecular formula C17H18O6 and a molecular weight of 318.33 g/mol. Its IUPAC name is 2-hydroxy-2-phenylacetic acid;2-hydroxy-2-phenylpropanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-phenylacetic acid;2-hydroxy-2-phenylpropanoic acid
PubChem CID22438373
Molecular FormulaC17H18O6
Molecular Weight318.33 g/mol
Exact Mass318.11
IUPAC Name2-hydroxy-2-phenylacetic acid;2-hydroxy-2-phenylpropanoic acid
SMILESCC(O)(C(=O)O)c1ccccc1.O=C(O)C(O)c1ccccc1
InChIInChI=1S/C9H10O3.C8H8O3/c1-9(12,8(10)11)7-5-3-2-4-6-7;9-7(8(10)11)6-4-2-1-3-5-6/h2-6,12H,1H3,(H,10,11);1-5,7,9H,(H,10,11)
InChIKeyYOKFUOHZNXGHGC-UHFFFAOYSA-N
XLogP1.78
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 51.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-hydroxy-2-phenylacetic acid;2-hydroxy-2-phenylpropanoic 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-phenylpropanoic acid
CID 736858
2-hydroxy-2-methylpropanoic acid;2-hydroxy-2-phenylpropanoic acid
CID 70572731
2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-2-hydroxyacetic acid
CID 11019130
(2R)-2-hydroxy-2-phenylacetic acid
CID 139040954
acetic acid;2-hydroxy-2-phenylacetic acid
CID 67499056
(2S)-2-hydroxy-2-phenylacetic acid;hydrate
CID 139987845
(2S)-2-hydroxy-2-phenylacetic acid;hydrochloride
CID 141322731
(2R)-2-hydroxy-2-phenylacetic acid;hydrate
CID 69001631
(2R)-2-hydroxy-2-phenylacetic acid;rhodium
CID 174857137
azane;2-hydroxy-2-phenylacetic acid
CID 23617102
(2R)-2-hydroxy-2-phenylacetic acid;zinc
CID 57473641
azane;(2R)-2-hydroxy-2-phenylacetic acid;hydrate
CID 70117102

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-phenylacetic acid;2-hydroxy-2-phenylpropanoic acid?
The IUPAC name of 2-hydroxy-2-phenylacetic acid;2-hydroxy-2-phenylpropanoic acid (CID 22438373) is 2-hydroxy-2-phenylacetic acid;2-hydroxy-2-phenylpropanoic acid.
What is the SMILES notation for 2-hydroxy-2-phenylacetic acid;2-hydroxy-2-phenylpropanoic acid?
The canonical SMILES for 2-hydroxy-2-phenylacetic acid;2-hydroxy-2-phenylpropanoic acid is CC(O)(C(=O)O)c1ccccc1.O=C(O)C(O)c1ccccc1.
What is the InChIKey of 2-hydroxy-2-phenylacetic acid;2-hydroxy-2-phenylpropanoic acid?
The InChIKey is YOKFUOHZNXGHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3.C8H8O3/c1-9(12,8(10)11)7-5-3-2-4-6-7;9-7(8(10)11)6-4-2-1-3-5-6/h2-6,12H,1H3,(H,10,11);1-5,7,9H,(H,10,11).
What are the key properties of 2-hydroxy-2-phenylacetic acid;2-hydroxy-2-phenylpropanoic acid?
2-hydroxy-2-phenylacetic acid;2-hydroxy-2-phenylpropanoic acid has a molecular weight of 318.33 g/mol, XLogP of 1.78, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-phenylacetic acid;2-hydroxy-2-phenylpropanoic acid is sourced from PubChem (CID 22438373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).