3-methyl-1-(2,4,6-trimethylphenyl)but-3-en-1-ol

C14H20O — CID 115816847

IUPAC3-methyl-1-(2,4,6-trimethylphenyl)but-3-en-1-ol
SMILESC=C(C)CC(O)c1c(C)cc(C)cc1C
InChIInChI=1S/C14H20O/c1-9(2)6-13(15)14-11(4)7-10(3)8-12(14)5/h7-8,13,15H,1,6H2,2-5H3
InChIKeyXFCYTGXBMBGJDX-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.61
Rot. Bonds3

About 3-methyl-1-(2,4,6-trimethylphenyl)but-3-en-1-ol

3-methyl-1-(2,4,6-trimethylphenyl)but-3-en-1-ol (PubChem CID 115816847) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 3-methyl-1-(2,4,6-trimethylphenyl)but-3-en-1-ol.

Molecular Properties

Compound Name3-methyl-1-(2,4,6-trimethylphenyl)but-3-en-1-ol
PubChem CID115816847
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name3-methyl-1-(2,4,6-trimethylphenyl)but-3-en-1-ol
SMILESC=C(C)CC(O)c1c(C)cc(C)cc1C
InChIInChI=1S/C14H20O/c1-9(2)6-13(15)14-11(4)7-10(3)8-12(14)5/h7-8,13,15H,1,6H2,2-5H3
InChIKeyXFCYTGXBMBGJDX-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
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

2-(hydroxyamino)-1-(2,4,6-trimethylphenyl)ethanol
CID 82112148
1-[(1R)-3-methyl-1-(2,4,6-trimethylphenyl)but-3-enyl]piperazine
CID 171290602
1-(2,4,6-trimethylphenyl)heptan-1-ol
CID 65148082
1-(3-chloro-4-methylthiophen-2-yl)-3-methylbut-3-en-1-ol
CID 103408113
1-(3-fluoro-4-methylphenyl)-3-methylbut-3-en-1-ol
CID 79177359
2-nitro-1-(2,4,6-trimethylphenyl)ethanol
CID 102401511
(1S)-2-azido-1-(2,4,6-trimethylphenyl)ethanol
CID 83092486
(1R)-2-azido-1-(2,4,6-trimethylphenyl)ethanol
CID 83093060
2-(propylamino)-1-(2,4,6-trimethylphenyl)ethanol
CID 62774498
3-methyl-1-(5-methylpyrazin-2-yl)but-3-en-1-ol
CID 105110111
bis(2,4,6-trimethylphenyl)methyl-trihydroxyphosphanium
CID 70632558
1-(3,5-dichlorophenyl)-3-methylbut-3-en-1-ol
CID 115816915

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2,4,6-trimethylphenyl)but-3-en-1-ol?
The IUPAC name of 3-methyl-1-(2,4,6-trimethylphenyl)but-3-en-1-ol (CID 115816847) is 3-methyl-1-(2,4,6-trimethylphenyl)but-3-en-1-ol.
What is the SMILES notation for 3-methyl-1-(2,4,6-trimethylphenyl)but-3-en-1-ol?
The canonical SMILES for 3-methyl-1-(2,4,6-trimethylphenyl)but-3-en-1-ol is C=C(C)CC(O)c1c(C)cc(C)cc1C.
What is the InChIKey of 3-methyl-1-(2,4,6-trimethylphenyl)but-3-en-1-ol?
The InChIKey is XFCYTGXBMBGJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-9(2)6-13(15)14-11(4)7-10(3)8-12(14)5/h7-8,13,15H,1,6H2,2-5H3.
What are the key properties of 3-methyl-1-(2,4,6-trimethylphenyl)but-3-en-1-ol?
3-methyl-1-(2,4,6-trimethylphenyl)but-3-en-1-ol has a molecular weight of 204.31 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2,4,6-trimethylphenyl)but-3-en-1-ol is sourced from PubChem (CID 115816847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).