2-(4-propan-2-ylphenyl)propan-2-ol

C12H18O — CID 18935

IUPAC2-(4-propan-2-ylphenyl)propan-2-ol
SMILESCC(C)c1ccc(C(C)(C)O)cc1
InChIInChI=1S/C12H18O/c1-9(2)10-5-7-11(8-6-10)12(3,4)13/h5-9,13H,1-4H3
InChIKeyVBSMBCNJCBKQFP-UHFFFAOYSA-N
MW178.27 g/mol
LogP3.04
Rot. Bonds2

About 2-(4-propan-2-ylphenyl)propan-2-ol

2-(4-propan-2-ylphenyl)propan-2-ol (PubChem CID 18935) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is 2-(4-propan-2-ylphenyl)propan-2-ol.

Molecular Properties

Compound Name2-(4-propan-2-ylphenyl)propan-2-ol
PubChem CID18935
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name2-(4-propan-2-ylphenyl)propan-2-ol
SMILESCC(C)c1ccc(C(C)(C)O)cc1
InChIInChI=1S/C12H18O/c1-9(2)10-5-7-11(8-6-10)12(3,4)13/h5-9,13H,1-4H3
InChIKeyVBSMBCNJCBKQFP-UHFFFAOYSA-N
XLogP3.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(4-propan-2-ylphenyl)propan-2-ol 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

2-Phenyl-2-propanol
CID 12053
1-Phenylethanol
CID 7409
Cumene Hydroperoxide
CID 6629
Cuminol
CID 325
1-Phenyl-1-propanol
CID 7147
Fenipentol
CID 3338
4-Methylbenzyl alcohol
CID 11505
1-Phenyl-3-methyl-3-pentanol
CID 61516
2-Methyl-4-phenyl-2-butanol
CID 7632
2-Methyl-1-phenyl-2-propanol
CID 7531
p,alpha-DIMETHYLBENZYL ALCOHOL
CID 10817
p-Cymen-8-ol
CID 14529

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylphenyl)propan-2-ol?
The IUPAC name of 2-(4-propan-2-ylphenyl)propan-2-ol (CID 18935) is 2-(4-propan-2-ylphenyl)propan-2-ol.
What is the SMILES notation for 2-(4-propan-2-ylphenyl)propan-2-ol?
The canonical SMILES for 2-(4-propan-2-ylphenyl)propan-2-ol is CC(C)c1ccc(C(C)(C)O)cc1.
What is the InChIKey of 2-(4-propan-2-ylphenyl)propan-2-ol?
The InChIKey is VBSMBCNJCBKQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-9(2)10-5-7-11(8-6-10)12(3,4)13/h5-9,13H,1-4H3.
What are the key properties of 2-(4-propan-2-ylphenyl)propan-2-ol?
2-(4-propan-2-ylphenyl)propan-2-ol has a molecular weight of 178.27 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylphenyl)propan-2-ol is sourced from PubChem (CID 18935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).