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

C13H18O — CID 71336376

IUPAC4,4-dimethyl-2-phenylpent-2-en-3-ol
SMILESCC(=C(O)C(C)(C)C)c1ccccc1
InChIInChI=1S/C13H18O/c1-10(12(14)13(2,3)4)11-8-6-5-7-9-11/h5-9,14H,1-4H3
InChIKeyZPGDDCNPFXDGPM-UHFFFAOYSA-N
MW190.29 g/mol
LogP4.02
Rot. Bonds1

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

4,4-dimethyl-2-phenylpent-2-en-3-ol (PubChem CID 71336376) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 4,4-dimethyl-2-phenylpent-2-en-3-ol.

Molecular Properties

Compound Name4,4-dimethyl-2-phenylpent-2-en-3-ol
PubChem CID71336376
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name4,4-dimethyl-2-phenylpent-2-en-3-ol
SMILESCC(=C(O)C(C)(C)C)c1ccccc1
InChIInChI=1S/C13H18O/c1-10(12(14)13(2,3)4)11-8-6-5-7-9-11/h5-9,14H,1-4H3
InChIKeyZPGDDCNPFXDGPM-UHFFFAOYSA-N
XLogP4.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 4,4-dimethyl-2-phenylpent-2-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

3-phenylbuta-1,3-dien-2-ylbenzene;[(Z)-3-phenylbut-2-en-2-yl]benzene
CID 143250660
ethane;3-methylbut-2-en-2-ylbenzene
CID 91173123
2-phenylpenta-2,4-dien-3-ylbenzene
CID 175534652
ethane;[(E)-3-fluorobut-2-en-2-yl]benzene
CID 168939251
prop-1-en-2-ylbenzene;silane
CID 174724970
ethane;tris(prop-1-en-2-ylbenzene)
CID 161299444
tert-butyl benzoate
CID 135038599
tert-butyl-dimethyl-[(E)-3-phenylbut-2-en-2-yl]oxysilane
CID 100917085
[(E,2S)-2-hydroxy-3-methyl-4-phenylpent-3-en-2-yl]phosphonic acid
CID 152733650
ethane;2-methylpropan-2-ol;1-phenylethanone
CID 91393199
2,3-diphenylbut-2-en-1-ol
CID 91085638
ethane;1-phenylethanone;2,2,3,3-tetramethylbutane
CID 157312693

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-phenylpent-2-en-3-ol?
The IUPAC name of 4,4-dimethyl-2-phenylpent-2-en-3-ol (CID 71336376) is 4,4-dimethyl-2-phenylpent-2-en-3-ol.
What is the SMILES notation for 4,4-dimethyl-2-phenylpent-2-en-3-ol?
The canonical SMILES for 4,4-dimethyl-2-phenylpent-2-en-3-ol is CC(=C(O)C(C)(C)C)c1ccccc1.
What is the InChIKey of 4,4-dimethyl-2-phenylpent-2-en-3-ol?
The InChIKey is ZPGDDCNPFXDGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-10(12(14)13(2,3)4)11-8-6-5-7-9-11/h5-9,14H,1-4H3.
What are the key properties of 4,4-dimethyl-2-phenylpent-2-en-3-ol?
4,4-dimethyl-2-phenylpent-2-en-3-ol has a molecular weight of 190.29 g/mol, XLogP of 4.02, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-phenylpent-2-en-3-ol is sourced from PubChem (CID 71336376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).