2,4-dimethyl-4-phenylpent-1-en-3-ol

C13H18O — CID 115817266

IUPAC2,4-dimethyl-4-phenylpent-1-en-3-ol
SMILESC=C(C)C(O)C(C)(C)c1ccccc1
InChIInChI=1S/C13H18O/c1-10(2)12(14)13(3,4)11-8-6-5-7-9-11/h5-9,12,14H,1H2,2-4H3
InChIKeyZSQPWULDSJDZEY-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.90
Rot. Bonds3

About 2,4-dimethyl-4-phenylpent-1-en-3-ol

2,4-dimethyl-4-phenylpent-1-en-3-ol (PubChem CID 115817266) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 2,4-dimethyl-4-phenylpent-1-en-3-ol.

Molecular Properties

Compound Name2,4-dimethyl-4-phenylpent-1-en-3-ol
PubChem CID115817266
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name2,4-dimethyl-4-phenylpent-1-en-3-ol
SMILESC=C(C)C(O)C(C)(C)c1ccccc1
InChIInChI=1S/C13H18O/c1-10(2)12(14)13(3,4)11-8-6-5-7-9-11/h5-9,12,14H,1H2,2-4H3
InChIKeyZSQPWULDSJDZEY-UHFFFAOYSA-N
XLogP2.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2,4-dimethyl-4-phenylpent-1-en-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

(2R)-3-methyl-2-phenylbut-3-en-2-ol
CID 102163421
2,4-dimethyl-2-phenyl(313C)pentan-3-ol
CID 12036606
1,1,1-trifluoro-3-methyl-3-phenylbutan-2-ol
CID 66466095
(1-hydroxy-2-methyl-2-phenylpropyl) acetate
CID 22355072
(2S)-3-methyl-1,1-diphenyl-2-sulfanylbut-3-en-1-ol
CID 166858466
(3S)-3-amino-4-methyl-4-phenylpentan-2-one
CID 138709724
N,2,6-trimethyl-2-phenylhept-6-en-3-amine
CID 114474619
1-(2-fluorophenyl)-2-methyl-2-phenylpropan-1-ol
CID 55180552
(3-fluoro-2-methylbutan-2-yl)benzene
CID 69013653
3,3,4-trimethyl-2-phenylpent-4-en-2-ol
CID 101413424
3-methyl-3-phenylbutan-2-amine;hydrochloride
CID 24841347
3-methylbut-3-en-2-ol;toluene
CID 91227774

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-4-phenylpent-1-en-3-ol?
The IUPAC name of 2,4-dimethyl-4-phenylpent-1-en-3-ol (CID 115817266) is 2,4-dimethyl-4-phenylpent-1-en-3-ol.
What is the SMILES notation for 2,4-dimethyl-4-phenylpent-1-en-3-ol?
The canonical SMILES for 2,4-dimethyl-4-phenylpent-1-en-3-ol is C=C(C)C(O)C(C)(C)c1ccccc1.
What is the InChIKey of 2,4-dimethyl-4-phenylpent-1-en-3-ol?
The InChIKey is ZSQPWULDSJDZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-10(2)12(14)13(3,4)11-8-6-5-7-9-11/h5-9,12,14H,1H2,2-4H3.
What are the key properties of 2,4-dimethyl-4-phenylpent-1-en-3-ol?
2,4-dimethyl-4-phenylpent-1-en-3-ol has a molecular weight of 190.29 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-4-phenylpent-1-en-3-ol is sourced from PubChem (CID 115817266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).