4-(2-hydroxypropan-2-yl)benzaldehyde

C10H12O2 — CID 10419520

IUPAC4-(2-hydroxypropan-2-yl)benzaldehyde
SMILESCC(C)(O)c1ccc(C=O)cc1
InChIInChI=1S/C10H12O2/c1-10(2,12)9-5-3-8(7-11)4-6-9/h3-7,12H,1-2H3
InChIKeyRCUMJJBGXUQSOF-UHFFFAOYSA-N
MW164.20 g/mol
LogP1.73
Rot. Bonds2

About 4-(2-hydroxypropan-2-yl)benzaldehyde

4-(2-hydroxypropan-2-yl)benzaldehyde (PubChem CID 10419520) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 4-(2-hydroxypropan-2-yl)benzaldehyde.

Molecular Properties

Compound Name4-(2-hydroxypropan-2-yl)benzaldehyde
PubChem CID10419520
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name4-(2-hydroxypropan-2-yl)benzaldehyde
SMILESCC(C)(O)c1ccc(C=O)cc1
InChIInChI=1S/C10H12O2/c1-10(2,12)9-5-3-8(7-11)4-6-9/h3-7,12H,1-2H3
InChIKeyRCUMJJBGXUQSOF-UHFFFAOYSA-N
XLogP1.73
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(2-hydroxypropan-2-yl)benzaldehyde with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxypropan-2-yl)benzaldehyde?
The IUPAC name of 4-(2-hydroxypropan-2-yl)benzaldehyde (CID 10419520) is 4-(2-hydroxypropan-2-yl)benzaldehyde.
What is the SMILES notation for 4-(2-hydroxypropan-2-yl)benzaldehyde?
The canonical SMILES for 4-(2-hydroxypropan-2-yl)benzaldehyde is CC(C)(O)c1ccc(C=O)cc1.
What is the InChIKey of 4-(2-hydroxypropan-2-yl)benzaldehyde?
The InChIKey is RCUMJJBGXUQSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-10(2,12)9-5-3-8(7-11)4-6-9/h3-7,12H,1-2H3.
What are the key properties of 4-(2-hydroxypropan-2-yl)benzaldehyde?
4-(2-hydroxypropan-2-yl)benzaldehyde has a molecular weight of 164.20 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxypropan-2-yl)benzaldehyde is sourced from PubChem (CID 10419520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).