2-methyl-1-(4-methylphenyl)propane-1,2-diol

C11H16O2 — CID 10535384

IUPAC2-methyl-1-(4-methylphenyl)propane-1,2-diol
SMILESCc1ccc(C(O)C(C)(C)O)cc1
InChIInChI=1S/C11H16O2/c1-8-4-6-9(7-5-8)10(12)11(2,3)13/h4-7,10,12-13H,1-3H3
InChIKeyRWEKKGXVYOYROM-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.80
Rot. Bonds2

About 2-methyl-1-(4-methylphenyl)propane-1,2-diol

2-methyl-1-(4-methylphenyl)propane-1,2-diol (PubChem CID 10535384) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-methyl-1-(4-methylphenyl)propane-1,2-diol.

Molecular Properties

Compound Name2-methyl-1-(4-methylphenyl)propane-1,2-diol
PubChem CID10535384
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name2-methyl-1-(4-methylphenyl)propane-1,2-diol
SMILESCc1ccc(C(O)C(C)(C)O)cc1
InChIInChI=1S/C11H16O2/c1-8-4-6-9(7-5-8)10(12)11(2,3)13/h4-7,10,12-13H,1-3H3
InChIKeyRWEKKGXVYOYROM-UHFFFAOYSA-N
XLogP1.80
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-methyl-1-(4-methylphenyl)propane-1,2-diol 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

(1R,2S)-2-methyl-1-(4-methylphenyl)butane-1,2-diol
CID 54566569
(1S)-1-amino-2-methyl-1-(4-methylphenyl)propan-2-ol
CID 144598850
2-chloro-1-(4-methylphenyl)-2-methylsulfonylpropan-1-ol
CID 102550305
2-chloro-2,2-difluoro-1-(4-methylphenyl)ethanol
CID 112575230
1-(4-bromophenyl)-2-methylpropane-1,2-diol;2-methyl-1-phenylpropane-1,2-diol
CID 160734659
(E,1S)-4,4-dimethyl-1-(4-methylphenyl)pent-2-en-1-ol;ethane;zinc
CID 11289501
(4-methylphenyl)-[4-(4-methylphenyl)phenyl]methanol
CID 143325793
amino-(4-methylphenyl)methanol
CID 70304176
2-methyl-4-(4-methylphenyl)pentan-2-ol
CID 11041610
methyl 3,3,3-trifluoro-2-hydroxy-2-[hydroxy-(4-methylphenyl)methyl]propanoate
CID 11521967
2-methyl-1-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]propane-1,2-diol
CID 90436166
2,2-difluoro-1-(4-methylphenyl)-2-nitroethanol
CID 12571896

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methylphenyl)propane-1,2-diol?
The IUPAC name of 2-methyl-1-(4-methylphenyl)propane-1,2-diol (CID 10535384) is 2-methyl-1-(4-methylphenyl)propane-1,2-diol.
What is the SMILES notation for 2-methyl-1-(4-methylphenyl)propane-1,2-diol?
The canonical SMILES for 2-methyl-1-(4-methylphenyl)propane-1,2-diol is Cc1ccc(C(O)C(C)(C)O)cc1.
What is the InChIKey of 2-methyl-1-(4-methylphenyl)propane-1,2-diol?
The InChIKey is RWEKKGXVYOYROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-8-4-6-9(7-5-8)10(12)11(2,3)13/h4-7,10,12-13H,1-3H3.
What are the key properties of 2-methyl-1-(4-methylphenyl)propane-1,2-diol?
2-methyl-1-(4-methylphenyl)propane-1,2-diol has a molecular weight of 180.25 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methylphenyl)propane-1,2-diol is sourced from PubChem (CID 10535384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).