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

C13H18O — CID 130129687

IUPAC2-(2,4,6-trimethylphenyl)but-3-en-1-ol
SMILESC=CC(CO)c1c(C)cc(C)cc1C
InChIInChI=1S/C13H18O/c1-5-12(8-14)13-10(3)6-9(2)7-11(13)4/h5-7,12,14H,1,8H2,2-4H3
InChIKeyFOIKAYQBHUASOQ-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.87
Rot. Bonds3

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

2-(2,4,6-trimethylphenyl)but-3-en-1-ol (PubChem CID 130129687) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-(2,4,6-trimethylphenyl)but-3-en-1-ol.

Molecular Properties

Compound Name2-(2,4,6-trimethylphenyl)but-3-en-1-ol
PubChem CID130129687
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name2-(2,4,6-trimethylphenyl)but-3-en-1-ol
SMILESC=CC(CO)c1c(C)cc(C)cc1C
InChIInChI=1S/C13H18O/c1-5-12(8-14)13-10(3)6-9(2)7-11(13)4/h5-7,12,14H,1,8H2,2-4H3
InChIKeyFOIKAYQBHUASOQ-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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

2-(2,4,6-trimethylphenyl)propane-1,3-diol
CID 82112091
2-(2,4,6-trimethylphenyl)propan-1-ol
CID 64989562
1-(2,4,6-trimethylphenyl)prop-2-en-1-amine
CID 55282598
4-methyl-2-(2,4,6-trimethylphenyl)pentan-1-ol
CID 82079911
(1S)-1-(2,4,6-trimethylphenyl)pent-4-en-1-amine;hydrochloride
CID 171225337
3-methyl-1-(2,4,6-trimethylphenyl)but-3-en-1-ol
CID 115816847
bis(2,4,6-trimethylphenyl)methyl-trihydroxyphosphanium
CID 70632558
2-amino-2-(2-methoxy-4,6-dimethylphenyl)ethanol
CID 77129779
2-[1-(2,4,6-trimethylphenyl)ethylamino]butan-1-ol
CID 43207150
(3S)-3-amino-2,2-dimethyl-3-(2,4,6-trimethylphenyl)propan-1-ol
CID 131408123
4-amino-2,2-dimethyl-4-(2,4,6-trimethylphenyl)butanoic acid
CID 65298101
1-(2,4,6-trimethylphenyl)pent-4-enylhydrazine
CID 105311566

Frequently Asked Questions

What is the IUPAC name of 2-(2,4,6-trimethylphenyl)but-3-en-1-ol?
The IUPAC name of 2-(2,4,6-trimethylphenyl)but-3-en-1-ol (CID 130129687) is 2-(2,4,6-trimethylphenyl)but-3-en-1-ol.
What is the SMILES notation for 2-(2,4,6-trimethylphenyl)but-3-en-1-ol?
The canonical SMILES for 2-(2,4,6-trimethylphenyl)but-3-en-1-ol is C=CC(CO)c1c(C)cc(C)cc1C.
What is the InChIKey of 2-(2,4,6-trimethylphenyl)but-3-en-1-ol?
The InChIKey is FOIKAYQBHUASOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-5-12(8-14)13-10(3)6-9(2)7-11(13)4/h5-7,12,14H,1,8H2,2-4H3.
What are the key properties of 2-(2,4,6-trimethylphenyl)but-3-en-1-ol?
2-(2,4,6-trimethylphenyl)but-3-en-1-ol has a molecular weight of 190.29 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,6-trimethylphenyl)but-3-en-1-ol is sourced from PubChem (CID 130129687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).