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

C14H20O — CID 101413424

IUPAC3,3,4-trimethyl-2-phenylpent-4-en-2-ol
SMILESC=C(C)C(C)(C)C(C)(O)c1ccccc1
InChIInChI=1S/C14H20O/c1-11(2)13(3,4)14(5,15)12-9-7-6-8-10-12/h6-10,15H,1H2,2-5H3
InChIKeyXFQNGAGJSUNDAA-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.50
Rot. Bonds3

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

3,3,4-trimethyl-2-phenylpent-4-en-2-ol (PubChem CID 101413424) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 3,3,4-trimethyl-2-phenylpent-4-en-2-ol.

Molecular Properties

Compound Name3,3,4-trimethyl-2-phenylpent-4-en-2-ol
PubChem CID101413424
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name3,3,4-trimethyl-2-phenylpent-4-en-2-ol
SMILESC=C(C)C(C)(C)C(C)(O)c1ccccc1
InChIInChI=1S/C14H20O/c1-11(2)13(3,4)14(5,15)12-9-7-6-8-10-12/h6-10,15H,1H2,2-5H3
InChIKeyXFQNGAGJSUNDAA-UHFFFAOYSA-N
XLogP3.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R)-3-methyl-2-phenylbut-3-en-2-ol
CID 102163421
3-hydroxy-2,2-dimethyl-3-phenylbutanoic acid
CID 12570468
2-methyl-3-phenylpent-1-en-3-ol
CID 79189457
4,4-dimethyl-2,3-diphenylpentane-2,3-diol
CID 174973746
3,4,4,5-tetramethyl-1-phenylhex-5-en-3-ol
CID 101413425
2-methyl-3-phenylhex-1-en-3-ol
CID 79189564
2,3-dimethylbut-3-en-2-ylsulfanylbenzene
CID 14947992
2,4-dimethyl-4-phenylpent-1-en-3-ol
CID 115817266
3-methoxy-2,3-diphenylbutan-2-ol
CID 3395875
diphenylmethanediol;dihydrochloride
CID 174953837
magnesium;hydride;2-phenylpropan-2-ol
CID 175301380
(2S,4R)-2,4-diphenylpentane-2,4-diol
CID 139037078

Frequently Asked Questions

What is the IUPAC name of 3,3,4-trimethyl-2-phenylpent-4-en-2-ol?
The IUPAC name of 3,3,4-trimethyl-2-phenylpent-4-en-2-ol (CID 101413424) is 3,3,4-trimethyl-2-phenylpent-4-en-2-ol.
What is the SMILES notation for 3,3,4-trimethyl-2-phenylpent-4-en-2-ol?
The canonical SMILES for 3,3,4-trimethyl-2-phenylpent-4-en-2-ol is C=C(C)C(C)(C)C(C)(O)c1ccccc1.
What is the InChIKey of 3,3,4-trimethyl-2-phenylpent-4-en-2-ol?
The InChIKey is XFQNGAGJSUNDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-11(2)13(3,4)14(5,15)12-9-7-6-8-10-12/h6-10,15H,1H2,2-5H3.
What are the key properties of 3,3,4-trimethyl-2-phenylpent-4-en-2-ol?
3,3,4-trimethyl-2-phenylpent-4-en-2-ol has a molecular weight of 204.31 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4-trimethyl-2-phenylpent-4-en-2-ol is sourced from PubChem (CID 101413424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).