2,3-dibutyl-6-methylphenol;2-methoxy-4-prop-2-enylphenol

C25H36O3 — CID 174882244

IUPAC2,3-dibutyl-6-methylphenol;2-methoxy-4-prop-2-enylphenol
SMILESC=CCc1ccc(O)c(OC)c1.CCCCc1ccc(C)c(O)c1CCCC
InChIInChI=1S/C15H24O.C10H12O2/c1-4-6-8-13-11-10-12(3)15(16)14(13)9-7-5-2;1-3-4-8-5-6-9(11)10(7-8)12-2/h10-11,16H,4-9H2,1-3H3;3,5-7,11H,1,4H2,2H3
InChIKeyDEYKAHYBHLACAU-UHFFFAOYSA-N
MW384.56 g/mol
LogP6.52
Rot. Bonds9

About 2,3-dibutyl-6-methylphenol;2-methoxy-4-prop-2-enylphenol

2,3-dibutyl-6-methylphenol;2-methoxy-4-prop-2-enylphenol (PubChem CID 174882244) has the molecular formula C25H36O3 and a molecular weight of 384.56 g/mol. Its IUPAC name is 2,3-dibutyl-6-methylphenol;2-methoxy-4-prop-2-enylphenol.

Molecular Properties

Compound Name2,3-dibutyl-6-methylphenol;2-methoxy-4-prop-2-enylphenol
PubChem CID174882244
Molecular FormulaC25H36O3
Molecular Weight384.56 g/mol
Exact Mass384.27
IUPAC Name2,3-dibutyl-6-methylphenol;2-methoxy-4-prop-2-enylphenol
SMILESC=CCc1ccc(O)c(OC)c1.CCCCc1ccc(C)c(O)c1CCCC
InChIInChI=1S/C15H24O.C10H12O2/c1-4-6-8-13-11-10-12(3)15(16)14(13)9-7-5-2;1-3-4-8-5-6-9(11)10(7-8)12-2/h10-11,16H,4-9H2,1-3H3;3,5-7,11H,1,4H2,2H3
InChIKeyDEYKAHYBHLACAU-UHFFFAOYSA-N
XLogP6.52
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.56
LogP ≤ 56.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,3-dibutyl-6-methylphenol;2-methoxy-4-prop-2-enylphenol 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-methoxy-6-methyl-4-prop-2-enylphenol;2-methoxy-4-prop-2-enylphenol
CID 158780722
CID 69284850
CID 69284850
2-methoxy-4-prop-2-enylphenol;hydroiodide
CID 172782314
buta-1,3-diene;bis(2-methoxy-4-prop-2-enylphenol)
CID 175132786
2,3-dibutyl-6-methylphenol;manganese
CID 174911131
2-methoxy-1-prop-2-enoxy-4-prop-2-enylbenzene;2-methoxy-4-prop-2-enylphenol
CID 160676628
2-methoxy-4-prop-2-enylphenol;propanimidamide
CID 174912037
ethane;2-methoxy-1-methyl-4-prop-2-enylbenzene
CID 142811862
1-deuteriooxy-2-methoxy-4-prop-2-enylbenzene
CID 123654669
ethoxybenzene;2-methoxy-4-prop-2-enylphenol
CID 69392132
4-butyl-2-(5-butyl-2-hydroxyphenyl)phenol;2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol
CID 69470587
methoxymethane;2-methoxy-4-prop-2-enylphenol;(4-methylphenyl) 2-methylpropanoate
CID 137380786

Frequently Asked Questions

What is the IUPAC name of 2,3-dibutyl-6-methylphenol;2-methoxy-4-prop-2-enylphenol?
The IUPAC name of 2,3-dibutyl-6-methylphenol;2-methoxy-4-prop-2-enylphenol (CID 174882244) is 2,3-dibutyl-6-methylphenol;2-methoxy-4-prop-2-enylphenol.
What is the SMILES notation for 2,3-dibutyl-6-methylphenol;2-methoxy-4-prop-2-enylphenol?
The canonical SMILES for 2,3-dibutyl-6-methylphenol;2-methoxy-4-prop-2-enylphenol is C=CCc1ccc(O)c(OC)c1.CCCCc1ccc(C)c(O)c1CCCC.
What is the InChIKey of 2,3-dibutyl-6-methylphenol;2-methoxy-4-prop-2-enylphenol?
The InChIKey is DEYKAHYBHLACAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O.C10H12O2/c1-4-6-8-13-11-10-12(3)15(16)14(13)9-7-5-2;1-3-4-8-5-6-9(11)10(7-8)12-2/h10-11,16H,4-9H2,1-3H3;3,5-7,11H,1,4H2,2H3.
What are the key properties of 2,3-dibutyl-6-methylphenol;2-methoxy-4-prop-2-enylphenol?
2,3-dibutyl-6-methylphenol;2-methoxy-4-prop-2-enylphenol has a molecular weight of 384.56 g/mol, XLogP of 6.52, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibutyl-6-methylphenol;2-methoxy-4-prop-2-enylphenol is sourced from PubChem (CID 174882244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).