4-butyl-2-methylphenol

C11H16O — CID 10964856

IUPAC4-butyl-2-methylphenol
SMILESCCCCc1ccc(O)c(C)c1
InChIInChI=1S/C11H16O/c1-3-4-5-10-6-7-11(12)9(2)8-10/h6-8,12H,3-5H2,1-2H3
InChIKeyWRGWAEBYMBFFCR-UHFFFAOYSA-N
MW164.25 g/mol
LogP3.04
Rot. Bonds3

About 4-butyl-2-methylphenol

4-butyl-2-methylphenol (PubChem CID 10964856) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 4-butyl-2-methylphenol.

Molecular Properties

Compound Name4-butyl-2-methylphenol
PubChem CID10964856
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name4-butyl-2-methylphenol
SMILESCCCCc1ccc(O)c(C)c1
InChIInChI=1S/C11H16O/c1-3-4-5-10-6-7-11(12)9(2)8-10/h6-8,12H,3-5H2,1-2H3
InChIKeyWRGWAEBYMBFFCR-UHFFFAOYSA-N
XLogP3.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-4-octadecylphenol
CID 3022311
4-butyl-2-methylphenol;methyl dihydrogen phosphite
CID 174305201
4-[3-(3,4-dimethylphenyl)propyl]-2-methylphenol
CID 162497681
4-(4-aminoheptyl)-2-methylphenol
CID 83922946
methane;2-methyl-4-nonylphenol;prop-2-ene-1-thiol
CID 174442186
CID 140580608
CID 140580608
4-dodecyl-2-methylphenol;2-ethyl-5-methylphenol
CID 90733756
butyl 4-(4-hydroxy-3-methylphenyl)butanoate
CID 174757530
2-(5-butyl-2-hydroxyphenyl)-4-methylphenol
CID 58663399
2-methyl-4-(6-methylheptyl)phenol
CID 154140199
1-(4-hydroxy-3-methylphenyl)heptane-3,4-diol
CID 112717303
CID 175900742
CID 175900742

Frequently Asked Questions

What is the IUPAC name of 4-butyl-2-methylphenol?
The IUPAC name of 4-butyl-2-methylphenol (CID 10964856) is 4-butyl-2-methylphenol.
What is the SMILES notation for 4-butyl-2-methylphenol?
The canonical SMILES for 4-butyl-2-methylphenol is CCCCc1ccc(O)c(C)c1.
What is the InChIKey of 4-butyl-2-methylphenol?
The InChIKey is WRGWAEBYMBFFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-3-4-5-10-6-7-11(12)9(2)8-10/h6-8,12H,3-5H2,1-2H3.
What are the key properties of 4-butyl-2-methylphenol?
4-butyl-2-methylphenol has a molecular weight of 164.25 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-2-methylphenol is sourced from PubChem (CID 10964856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).