2-hydroxy-2-phenylpropanal

C9H10O2 — CID 12859206

IUPAC2-hydroxy-2-phenylpropanal
SMILESCC(O)(C=O)c1ccccc1
InChIInChI=1S/C9H10O2/c1-9(11,7-10)8-5-3-2-4-6-8/h2-7,11H,1H3
InChIKeyDJSCQCGHDWBAMG-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.09
Rot. Bonds2

About 2-hydroxy-2-phenylpropanal

2-hydroxy-2-phenylpropanal (PubChem CID 12859206) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 2-hydroxy-2-phenylpropanal.

Molecular Properties

Compound Name2-hydroxy-2-phenylpropanal
PubChem CID12859206
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name2-hydroxy-2-phenylpropanal
SMILESCC(O)(C=O)c1ccccc1
InChIInChI=1S/C9H10O2/c1-9(11,7-10)8-5-3-2-4-6-8/h2-7,11H,1H3
InChIKeyDJSCQCGHDWBAMG-UHFFFAOYSA-N
XLogP1.09
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-hydroxy-2-phenylpropanal 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

Mandelic Acid
CID 1292
Benzilic acid
CID 6463
(S)-mandelic acid
CID 439616
(-)-Mandelic acid
CID 11914
Ethyl mandelate
CID 13050
(+-)-Cyclohexylphenylglycolic acid
CID 97700
Atrolactic acid
CID 1303
Methyl benzilate
CID 66159
(S)-Atrolactic acid
CID 445144
2-(4'-(1-Hydroxy-2-methylpropyl)phenyl)propionic acid
CID 45117195
(+-)-Methyl mandelate
CID 78066
alpha-Cyclopentylmandelic acid
CID 98283

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-phenylpropanal?
The IUPAC name of 2-hydroxy-2-phenylpropanal (CID 12859206) is 2-hydroxy-2-phenylpropanal.
What is the SMILES notation for 2-hydroxy-2-phenylpropanal?
The canonical SMILES for 2-hydroxy-2-phenylpropanal is CC(O)(C=O)c1ccccc1.
What is the InChIKey of 2-hydroxy-2-phenylpropanal?
The InChIKey is DJSCQCGHDWBAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c1-9(11,7-10)8-5-3-2-4-6-8/h2-7,11H,1H3.
What are the key properties of 2-hydroxy-2-phenylpropanal?
2-hydroxy-2-phenylpropanal has a molecular weight of 150.18 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-phenylpropanal is sourced from PubChem (CID 12859206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).