5-butyl-2,3,4-trimethylphenol

C13H20O — CID 150949737

IUPAC5-butyl-2,3,4-trimethylphenol
SMILESCCCCc1cc(O)c(C)c(C)c1C
InChIInChI=1S/C13H20O/c1-5-6-7-12-8-13(14)11(4)9(2)10(12)3/h8,14H,5-7H2,1-4H3
InChIKeyLJVLTSYGNJDTOR-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.66
Rot. Bonds3

About 5-butyl-2,3,4-trimethylphenol

5-butyl-2,3,4-trimethylphenol (PubChem CID 150949737) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 5-butyl-2,3,4-trimethylphenol.

Molecular Properties

Compound Name5-butyl-2,3,4-trimethylphenol
PubChem CID150949737
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name5-butyl-2,3,4-trimethylphenol
SMILESCCCCc1cc(O)c(C)c(C)c1C
InChIInChI=1S/C13H20O/c1-5-6-7-12-8-13(14)11(4)9(2)10(12)3/h8,14H,5-7H2,1-4H3
InChIKeyLJVLTSYGNJDTOR-UHFFFAOYSA-N
XLogP3.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,5-dibutyl-2-methylphenol
CID 10285910
4-butyl-2,3,6-trimethylphenol
CID 91610949
5-heptadecyl-4-methylbenzene-1,3-diol
CID 123730698
4-butyl-3,6-dimethylbenzene-1,2-diol
CID 87874831
4,5-didecylbenzene-1,2-diol
CID 15667809
1-decyl-2,3,4,5-tetramethylbenzene
CID 150356555
2-butyl-4,5-diethyl-3-methylphenol
CID 139832080
5-butyl-4-fluoro-2-methylphenol
CID 118092181
4-butyl-3,5-dipentylbenzene-1,2-diol
CID 87876480
2,3-dibutyl-5-methylphenol
CID 151375054
5-butyl-4-pentyl-3-propylbenzene-1,2-diol
CID 87874763
1,3,4-tributyl-2,5-dimethylbenzene
CID 150402952

Frequently Asked Questions

What is the IUPAC name of 5-butyl-2,3,4-trimethylphenol?
The IUPAC name of 5-butyl-2,3,4-trimethylphenol (CID 150949737) is 5-butyl-2,3,4-trimethylphenol.
What is the SMILES notation for 5-butyl-2,3,4-trimethylphenol?
The canonical SMILES for 5-butyl-2,3,4-trimethylphenol is CCCCc1cc(O)c(C)c(C)c1C.
What is the InChIKey of 5-butyl-2,3,4-trimethylphenol?
The InChIKey is LJVLTSYGNJDTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-5-6-7-12-8-13(14)11(4)9(2)10(12)3/h8,14H,5-7H2,1-4H3.
What are the key properties of 5-butyl-2,3,4-trimethylphenol?
5-butyl-2,3,4-trimethylphenol has a molecular weight of 192.30 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2,3,4-trimethylphenol is sourced from PubChem (CID 150949737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).