2-methyl-2-[(3-methylphenyl)methyl]propane-1,3-diol

C12H18O2 — CID 79001727

IUPAC2-methyl-2-[(3-methylphenyl)methyl]propane-1,3-diol
SMILESCc1cccc(CC(C)(CO)CO)c1
InChIInChI=1S/C12H18O2/c1-10-4-3-5-11(6-10)7-12(2,8-13)9-14/h3-6,13-14H,7-9H2,1-2H3
InChIKeyCWNNCLJGCUQBCZ-UHFFFAOYSA-N
MW194.27 g/mol
LogP1.53
Rot. Bonds4

About 2-methyl-2-[(3-methylphenyl)methyl]propane-1,3-diol

2-methyl-2-[(3-methylphenyl)methyl]propane-1,3-diol (PubChem CID 79001727) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 2-methyl-2-[(3-methylphenyl)methyl]propane-1,3-diol.

Molecular Properties

Compound Name2-methyl-2-[(3-methylphenyl)methyl]propane-1,3-diol
PubChem CID79001727
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name2-methyl-2-[(3-methylphenyl)methyl]propane-1,3-diol
SMILESCc1cccc(CC(C)(CO)CO)c1
InChIInChI=1S/C12H18O2/c1-10-4-3-5-11(6-10)7-12(2,8-13)9-14/h3-6,13-14H,7-9H2,1-2H3
InChIKeyCWNNCLJGCUQBCZ-UHFFFAOYSA-N
XLogP1.53
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-methyl-2-[(3-methylphenyl)methyl]propane-1,3-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

2-[(3-methylphenyl)methyl]-2-propan-2-ylpropane-1,3-diol
CID 79450470
2,3-dimethyl-1-(3-methylphenyl)butan-2-ol
CID 60798225
1,2-bis(3-methylphenyl)propan-2-ol
CID 60798209
2,2-dimethylpropane;1-(2,2-dimethylpropyl)-3-methylbenzene;ethane;propane
CID 144517677
1-methyl-3-(2,2,3,3-tetrafluorobutyl)benzene
CID 159642722
1-(2,2-dimethylbut-3-ynyl)-3-methylbenzene
CID 122240116
2-(aminomethyl)-2-[(3-methylphenyl)methyl]pentan-1-ol
CID 106506324
2-(4-chlorophenyl)-2-[(3-methylphenyl)methyl]propane-1,3-diol
CID 79450583
2-chloro-2-methyl-3-(3-methylphenyl)propanoic acid
CID 83639747
(2R)-2-amino-2-methyl-3-(3-methylphenyl)propanamide
CID 101024424
2-(4-chlorophenyl)-1-(3-methylphenyl)propan-2-ol
CID 60799213
2-(aminomethyl)-2-cyclopropyl-3-(3-methylphenyl)propan-1-ol
CID 106506492

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(3-methylphenyl)methyl]propane-1,3-diol?
The IUPAC name of 2-methyl-2-[(3-methylphenyl)methyl]propane-1,3-diol (CID 79001727) is 2-methyl-2-[(3-methylphenyl)methyl]propane-1,3-diol.
What is the SMILES notation for 2-methyl-2-[(3-methylphenyl)methyl]propane-1,3-diol?
The canonical SMILES for 2-methyl-2-[(3-methylphenyl)methyl]propane-1,3-diol is Cc1cccc(CC(C)(CO)CO)c1.
What is the InChIKey of 2-methyl-2-[(3-methylphenyl)methyl]propane-1,3-diol?
The InChIKey is CWNNCLJGCUQBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-10-4-3-5-11(6-10)7-12(2,8-13)9-14/h3-6,13-14H,7-9H2,1-2H3.
What are the key properties of 2-methyl-2-[(3-methylphenyl)methyl]propane-1,3-diol?
2-methyl-2-[(3-methylphenyl)methyl]propane-1,3-diol has a molecular weight of 194.27 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(3-methylphenyl)methyl]propane-1,3-diol is sourced from PubChem (CID 79001727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).