2,4-dimethyl-2-phenyl(313C)pentan-3-ol

C13H20O — CID 12036606

IUPAC2,4-dimethyl-2-phenyl(313C)pentan-3-ol
SMILESCC(C)[13CH](O)C(C)(C)c1ccccc1
InChIInChI=1S/C13H20O/c1-10(2)12(14)13(3,4)11-8-6-5-7-9-11/h5-10,12,14H,1-4H3/i12+1
InChIKeyFJUKBTZGHVOFMH-HNHCFKFXSA-N
MW193.29 g/mol
LogP2.98
Rot. Bonds3

About 2,4-dimethyl-2-phenyl(313C)pentan-3-ol

2,4-dimethyl-2-phenyl(313C)pentan-3-ol (PubChem CID 12036606) has the molecular formula C13H20O and a molecular weight of 193.29 g/mol. Its IUPAC name is 2,4-dimethyl-2-phenyl(313C)pentan-3-ol.

Molecular Properties

Compound Name2,4-dimethyl-2-phenyl(313C)pentan-3-ol
PubChem CID12036606
Molecular FormulaC13H20O
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2,4-dimethyl-2-phenyl(313C)pentan-3-ol
SMILESCC(C)[13CH](O)C(C)(C)c1ccccc1
InChIInChI=1S/C13H20O/c1-10(2)12(14)13(3,4)11-8-6-5-7-9-11/h5-10,12,14H,1-4H3/i12+1
InChIKeyFJUKBTZGHVOFMH-HNHCFKFXSA-N
XLogP2.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,4-dimethyl-2-phenyl(313C)pentan-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

(3R,4S)-4-(chloromethyl)-2-methyl-2-phenylhex-5-en-3-ol
CID 102467586
1-(dimethylamino)-3-methyl-1,1-diphenylbutan-2-ol
CID 139632392
(3-fluoro-2-methylbutan-2-yl)benzene
CID 69013653
2,4-dimethyl-4-phenylpent-1-en-3-ol
CID 115817266
1,1,1-trifluoro-3-methyl-3-phenylbutan-2-ol
CID 66466095
3-methyl-3-phenylbutan-2-amine;hydrochloride
CID 24841347
N,2,4-trimethyl-2-phenylpentan-3-amine
CID 21032330
(1S,2R)-3-methyl-1-(2-methylphenyl)-1-phenylbutane-1,2-diol
CID 131848491
(2R,3R,4R,5R)-2,5-dimethoxy-2,5-diphenylhexane-3,4-diol
CID 101412286
trimethyl-(3-methyl-3-phenylbutan-2-yl)silane
CID 91220136
2,3-dihydroxy-4-methyl-1,2-diphenylpentan-1-one
CID 14433421
1-(2-fluorophenyl)-2-methyl-2-phenylpropan-1-ol
CID 55180552

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-2-phenyl(313C)pentan-3-ol?
The IUPAC name of 2,4-dimethyl-2-phenyl(313C)pentan-3-ol (CID 12036606) is 2,4-dimethyl-2-phenyl(313C)pentan-3-ol.
What is the SMILES notation for 2,4-dimethyl-2-phenyl(313C)pentan-3-ol?
The canonical SMILES for 2,4-dimethyl-2-phenyl(313C)pentan-3-ol is CC(C)[13CH](O)C(C)(C)c1ccccc1.
What is the InChIKey of 2,4-dimethyl-2-phenyl(313C)pentan-3-ol?
The InChIKey is FJUKBTZGHVOFMH-HNHCFKFXSA-N. The full InChI is InChI=1S/C13H20O/c1-10(2)12(14)13(3,4)11-8-6-5-7-9-11/h5-10,12,14H,1-4H3/i12+1.
What are the key properties of 2,4-dimethyl-2-phenyl(313C)pentan-3-ol?
2,4-dimethyl-2-phenyl(313C)pentan-3-ol has a molecular weight of 193.29 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-2-phenyl(313C)pentan-3-ol is sourced from PubChem (CID 12036606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).