2-methyl-1-phenylpropan-2-ol

C10H14O — CID 7531

IUPAC2-methyl-1-phenylpropan-2-ol
SMILESCC(C)(O)Cc1ccccc1
InChIInChI=1S/C10H14O/c1-10(2,11)8-9-6-4-3-5-7-9/h3-7,11H,8H2,1-2H3
InChIKeyRIWRBSMFKVOJMN-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.00
Rot. Bonds2

About 2-methyl-1-phenylpropan-2-ol

2-methyl-1-phenylpropan-2-ol (PubChem CID 7531) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 2-methyl-1-phenylpropan-2-ol.

Molecular Properties

Compound Name2-methyl-1-phenylpropan-2-ol
PubChem CID7531
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name2-methyl-1-phenylpropan-2-ol
SMILESCC(C)(O)Cc1ccccc1
InChIInChI=1S/C10H14O/c1-10(2,11)8-9-6-4-3-5-7-9/h3-7,11H,8H2,1-2H3
InChIKeyRIWRBSMFKVOJMN-UHFFFAOYSA-N
XLogP2.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-methyl-1-phenylpropan-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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-phenylpropan-2-ol?
The IUPAC name of 2-methyl-1-phenylpropan-2-ol (CID 7531) is 2-methyl-1-phenylpropan-2-ol.
What is the SMILES notation for 2-methyl-1-phenylpropan-2-ol?
The canonical SMILES for 2-methyl-1-phenylpropan-2-ol is CC(C)(O)Cc1ccccc1.
What is the InChIKey of 2-methyl-1-phenylpropan-2-ol?
The InChIKey is RIWRBSMFKVOJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-10(2,11)8-9-6-4-3-5-7-9/h3-7,11H,8H2,1-2H3.
What are the key properties of 2-methyl-1-phenylpropan-2-ol?
2-methyl-1-phenylpropan-2-ol has a molecular weight of 150.22 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-phenylpropan-2-ol is sourced from PubChem (CID 7531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).