2-butyl-3-methylphenol;2,3-dimethylphenol

C19H26O2 — CID 67848527

IUPAC2-butyl-3-methylphenol;2,3-dimethylphenol
SMILESCCCCc1c(C)cccc1O.Cc1cccc(O)c1C
InChIInChI=1S/C11H16O.C8H10O/c1-3-4-7-10-9(2)6-5-8-11(10)12;1-6-4-3-5-8(9)7(6)2/h5-6,8,12H,3-4,7H2,1-2H3;3-5,9H,1-2H3
InChIKeyGRYAYYJNAGJXNI-UHFFFAOYSA-N
MW286.42 g/mol
LogP5.05
Rot. Bonds3

About 2-butyl-3-methylphenol;2,3-dimethylphenol

2-butyl-3-methylphenol;2,3-dimethylphenol (PubChem CID 67848527) has the molecular formula C19H26O2 and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-butyl-3-methylphenol;2,3-dimethylphenol.

Molecular Properties

Compound Name2-butyl-3-methylphenol;2,3-dimethylphenol
PubChem CID67848527
Molecular FormulaC19H26O2
Molecular Weight286.42 g/mol
Exact Mass286.19
IUPAC Name2-butyl-3-methylphenol;2,3-dimethylphenol
SMILESCCCCc1c(C)cccc1O.Cc1cccc(O)c1C
InChIInChI=1S/C11H16O.C8H10O/c1-3-4-7-10-9(2)6-5-8-11(10)12;1-6-4-3-5-8(9)7(6)2/h5-6,8,12H,3-4,7H2,1-2H3;3-5,9H,1-2H3
InChIKeyGRYAYYJNAGJXNI-UHFFFAOYSA-N
XLogP5.05
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.42
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-butyl-3-methylphenol
CID 174788119
2-hexyl-3-methylphenol
CID 28322
2-pentylbenzene-1,3-diol
CID 15007741
bis(2,3-dimethylphenol);zirconium(2+);dichloride
CID 174478108
hexane;1,2,3-trimethylbenzene
CID 159405289
3-methyl-2-(4-methylpentyl)phenol
CID 23036638
2-methyl-3-octylbenzene-1,4-diol
CID 67742656
2,3-dimethylphenol;bis(2-methylphenol)
CID 67655814
2-butyl-3-hexylphenol
CID 141346396
3-butyl-2-hexylphenol
CID 66867063
2,3-dimethylphenol;octylcyclopentane
CID 145059039
(2-hydroxy-6-methylphenyl)methanesulfonic acid;octane
CID 174514147

Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-methylphenol;2,3-dimethylphenol?
The IUPAC name of 2-butyl-3-methylphenol;2,3-dimethylphenol (CID 67848527) is 2-butyl-3-methylphenol;2,3-dimethylphenol.
What is the SMILES notation for 2-butyl-3-methylphenol;2,3-dimethylphenol?
The canonical SMILES for 2-butyl-3-methylphenol;2,3-dimethylphenol is CCCCc1c(C)cccc1O.Cc1cccc(O)c1C.
What is the InChIKey of 2-butyl-3-methylphenol;2,3-dimethylphenol?
The InChIKey is GRYAYYJNAGJXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O.C8H10O/c1-3-4-7-10-9(2)6-5-8-11(10)12;1-6-4-3-5-8(9)7(6)2/h5-6,8,12H,3-4,7H2,1-2H3;3-5,9H,1-2H3.
What are the key properties of 2-butyl-3-methylphenol;2,3-dimethylphenol?
2-butyl-3-methylphenol;2,3-dimethylphenol has a molecular weight of 286.42 g/mol, XLogP of 5.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-methylphenol;2,3-dimethylphenol is sourced from PubChem (CID 67848527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).