2-butyl-3-methylphenol

C22H32O2 — CID 174788119

IUPAC2-butyl-3-methylphenol
SMILESCCCCc1c(C)cccc1O.CCCCc1c(C)cccc1O
InChIInChI=1S/2C11H16O/c2*1-3-4-7-10-9(2)6-5-8-11(10)12/h2*5-6,8,12H,3-4,7H2,1-2H3
InChIKeyKEFAMWPGGYCFEM-UHFFFAOYSA-N
MW328.50 g/mol
LogP6.09
Rot. Bonds6

About 2-butyl-3-methylphenol

2-butyl-3-methylphenol (PubChem CID 174788119) has the molecular formula C22H32O2 and a molecular weight of 328.50 g/mol. Its IUPAC name is 2-butyl-3-methylphenol.

Molecular Properties

Compound Name2-butyl-3-methylphenol
PubChem CID174788119
Molecular FormulaC22H32O2
Molecular Weight328.50 g/mol
Exact Mass328.24
IUPAC Name2-butyl-3-methylphenol
SMILESCCCCc1c(C)cccc1O.CCCCc1c(C)cccc1O
InChIInChI=1S/2C11H16O/c2*1-3-4-7-10-9(2)6-5-8-11(10)12/h2*5-6,8,12H,3-4,7H2,1-2H3
InChIKeyKEFAMWPGGYCFEM-UHFFFAOYSA-N
XLogP6.09
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.50
LogP ≤ 56.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-hexyl-3-methylphenol
CID 28322
2-butyl-3-methylphenol;2,3-dimethylphenol
CID 67848527
2-pentylbenzene-1,3-diol
CID 15007741
3-methyl-2-(4-methylpentyl)phenol
CID 23036638
3-butyl-2-hexylphenol
CID 66867063
2-butyl-3-hexylphenol
CID 141346396
(2-hydroxy-6-methylphenyl)methanesulfonic acid;octane
CID 174514147
2-(hydroxymethyl)-3-methylphenol
CID 10997099
2-butyl-1-(2-butyl-3-methylphenoxy)-3-methylbenzene
CID 175265756
2,3-di(nonadecyl)phenol
CID 151687635
2-butyl-3-hydroxybenzenesulfonic acid
CID 45254674
2,3-dihexylbenzene-1,4-diol
CID 69329716

Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-methylphenol?
The IUPAC name of 2-butyl-3-methylphenol (CID 174788119) is 2-butyl-3-methylphenol.
What is the SMILES notation for 2-butyl-3-methylphenol?
The canonical SMILES for 2-butyl-3-methylphenol is CCCCc1c(C)cccc1O.CCCCc1c(C)cccc1O.
What is the InChIKey of 2-butyl-3-methylphenol?
The InChIKey is KEFAMWPGGYCFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H16O/c2*1-3-4-7-10-9(2)6-5-8-11(10)12/h2*5-6,8,12H,3-4,7H2,1-2H3.
What are the key properties of 2-butyl-3-methylphenol?
2-butyl-3-methylphenol has a molecular weight of 328.50 g/mol, XLogP of 6.09, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-methylphenol is sourced from PubChem (CID 174788119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).