2,2,4-trimethyl-1,5-diphenylpentan-3-ol

C20H26O — CID 139443987

IUPAC2,2,4-trimethyl-1,5-diphenylpentan-3-ol
SMILESCC(Cc1ccccc1)C(O)C(C)(C)Cc1ccccc1
InChIInChI=1S/C20H26O/c1-16(14-17-10-6-4-7-11-17)19(21)20(2,3)15-18-12-8-5-9-13-18/h4-13,16,19,21H,14-15H2,1-3H3
InChIKeyJCXLZGCOQFAUES-UHFFFAOYSA-N
MW282.43 g/mol
LogP4.49
Rot. Bonds6

About 2,2,4-trimethyl-1,5-diphenylpentan-3-ol

2,2,4-trimethyl-1,5-diphenylpentan-3-ol (PubChem CID 139443987) has the molecular formula C20H26O and a molecular weight of 282.43 g/mol. Its IUPAC name is 2,2,4-trimethyl-1,5-diphenylpentan-3-ol.

Molecular Properties

Compound Name2,2,4-trimethyl-1,5-diphenylpentan-3-ol
PubChem CID139443987
Molecular FormulaC20H26O
Molecular Weight282.43 g/mol
Exact Mass282.20
IUPAC Name2,2,4-trimethyl-1,5-diphenylpentan-3-ol
SMILESCC(Cc1ccccc1)C(O)C(C)(C)Cc1ccccc1
InChIInChI=1S/C20H26O/c1-16(14-17-10-6-4-7-11-17)19(21)20(2,3)15-18-12-8-5-9-13-18/h4-13,16,19,21H,14-15H2,1-3H3
InChIKeyJCXLZGCOQFAUES-UHFFFAOYSA-N
XLogP4.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,2,4-trimethyl-1,5-diphenylpentan-3-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

(2S,3S)-3-methyl-4-phenylbutan-2-ol
CID 11194521
2,2,4,4-tetramethyl-1-phenylpentan-3-ol
CID 57049291
2,3-dimethylbutylbenzene
CID 12054035
(3S)-4,4-dimethyl-5-phenylpent-1-yn-3-ol
CID 11665538
(2S)-3,3-dimethyl-1-phenylbutan-2-ol
CID 12689722
3,3-dimethyl-1-phenylbutan-2-ol
CID 5051506
3-methyl-1-phenylpentane-2,4-diol
CID 59748553
3-methyl-1-phenylhexan-2-ol
CID 63018482
(2S,3R)-2-amino-4,4-dimethyl-1-phenylpentan-3-ol
CID 101132105
(2S,3R)-3-benzyl-4,4-dimethylpentane-2,3-diol
CID 10922116
1,1-diethoxy-3-methyl-4-phenylbutan-2-ol
CID 101485670
sodium;hydride;1-phenylpropan-2-ol
CID 175039142

Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-1,5-diphenylpentan-3-ol?
The IUPAC name of 2,2,4-trimethyl-1,5-diphenylpentan-3-ol (CID 139443987) is 2,2,4-trimethyl-1,5-diphenylpentan-3-ol.
What is the SMILES notation for 2,2,4-trimethyl-1,5-diphenylpentan-3-ol?
The canonical SMILES for 2,2,4-trimethyl-1,5-diphenylpentan-3-ol is CC(Cc1ccccc1)C(O)C(C)(C)Cc1ccccc1.
What is the InChIKey of 2,2,4-trimethyl-1,5-diphenylpentan-3-ol?
The InChIKey is JCXLZGCOQFAUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O/c1-16(14-17-10-6-4-7-11-17)19(21)20(2,3)15-18-12-8-5-9-13-18/h4-13,16,19,21H,14-15H2,1-3H3.
What are the key properties of 2,2,4-trimethyl-1,5-diphenylpentan-3-ol?
2,2,4-trimethyl-1,5-diphenylpentan-3-ol has a molecular weight of 282.43 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-1,5-diphenylpentan-3-ol is sourced from PubChem (CID 139443987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).