1,1,2-tris(2-methylphenyl)ethanol

C23H24O — CID 69269373

IUPAC1,1,2-tris(2-methylphenyl)ethanol
SMILESCc1ccccc1CC(O)(c1ccccc1C)c1ccccc1C
InChIInChI=1S/C23H24O/c1-17-10-4-7-13-20(17)16-23(24,21-14-8-5-11-18(21)2)22-15-9-6-12-19(22)3/h4-15,24H,16H2,1-3H3
InChIKeyBCOKKXJKOAYJAI-UHFFFAOYSA-N
MW316.44 g/mol
LogP5.09
Rot. Bonds4

About 1,1,2-tris(2-methylphenyl)ethanol

1,1,2-tris(2-methylphenyl)ethanol (PubChem CID 69269373) has the molecular formula C23H24O and a molecular weight of 316.44 g/mol. Its IUPAC name is 1,1,2-tris(2-methylphenyl)ethanol.

Molecular Properties

Compound Name1,1,2-tris(2-methylphenyl)ethanol
PubChem CID69269373
Molecular FormulaC23H24O
Molecular Weight316.44 g/mol
Exact Mass316.18
IUPAC Name1,1,2-tris(2-methylphenyl)ethanol
SMILESCc1ccccc1CC(O)(c1ccccc1C)c1ccccc1C
InChIInChI=1S/C23H24O/c1-17-10-4-7-13-20(17)16-23(24,21-14-8-5-11-18(21)2)22-15-9-6-12-19(22)3/h4-15,24H,16H2,1-3H3
InChIKeyBCOKKXJKOAYJAI-UHFFFAOYSA-N
XLogP5.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.44
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1,1,2-tris(2-methylphenyl)ethanol 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

2,3,3-trimethyl-4-(2-methylphenyl)butan-2-ol
CID 58555255
2-(2-chlorophenyl)-1-(2-methylphenyl)propan-2-ol
CID 54919421
1-(2,2-dimethylpropyl)-2-methylbenzene
CID 21464495
2-methyl-1-(2-methylphenyl)-3-phenylpropan-2-ol
CID 114994895
2-methyl-1-(2-methylphenyl)propane-2-thiol
CID 10583708
1-(2-fluorophenyl)-2-methyl-3-(2-methylphenyl)propan-2-ol
CID 114832697
1-(2,2-dimethylbut-3-ynyl)-2-methylbenzene
CID 122240113
2-(aminomethyl)-2,3-bis(2-methylphenyl)propanoic acid
CID 106509102
3-(2-methylphenyl)propane-1,1,1-triol
CID 141357716
1-chloro-2-[1-chloro-2-(chloromethyl)-3-(2-methylphenyl)propan-2-yl]benzene
CID 79453918
1-methyl-2-(3,3,3-trifluoro-2,2-dimethylpropyl)benzene
CID 166564224
2-[(2-methylphenyl)methyl]-2-propylpropane-1,3-diol
CID 79450994

Frequently Asked Questions

What is the IUPAC name of 1,1,2-tris(2-methylphenyl)ethanol?
The IUPAC name of 1,1,2-tris(2-methylphenyl)ethanol (CID 69269373) is 1,1,2-tris(2-methylphenyl)ethanol.
What is the SMILES notation for 1,1,2-tris(2-methylphenyl)ethanol?
The canonical SMILES for 1,1,2-tris(2-methylphenyl)ethanol is Cc1ccccc1CC(O)(c1ccccc1C)c1ccccc1C.
What is the InChIKey of 1,1,2-tris(2-methylphenyl)ethanol?
The InChIKey is BCOKKXJKOAYJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O/c1-17-10-4-7-13-20(17)16-23(24,21-14-8-5-11-18(21)2)22-15-9-6-12-19(22)3/h4-15,24H,16H2,1-3H3.
What are the key properties of 1,1,2-tris(2-methylphenyl)ethanol?
1,1,2-tris(2-methylphenyl)ethanol has a molecular weight of 316.44 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-tris(2-methylphenyl)ethanol is sourced from PubChem (CID 69269373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).