4,5-dimethyl-2-(2-methylbutan-2-yl)phenol

C13H20O — CID 130033349

IUPAC4,5-dimethyl-2-(2-methylbutan-2-yl)phenol
SMILESCCC(C)(C)c1cc(C)c(C)cc1O
InChIInChI=1S/C13H20O/c1-6-13(4,5)11-7-9(2)10(3)8-12(11)14/h7-8,14H,6H2,1-5H3
InChIKeyINIQZYRSINSISJ-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.70
Rot. Bonds2

About 4,5-dimethyl-2-(2-methylbutan-2-yl)phenol

4,5-dimethyl-2-(2-methylbutan-2-yl)phenol (PubChem CID 130033349) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 4,5-dimethyl-2-(2-methylbutan-2-yl)phenol.

Molecular Properties

Compound Name4,5-dimethyl-2-(2-methylbutan-2-yl)phenol
PubChem CID130033349
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name4,5-dimethyl-2-(2-methylbutan-2-yl)phenol
SMILESCCC(C)(C)c1cc(C)c(C)cc1O
InChIInChI=1S/C13H20O/c1-6-13(4,5)11-7-9(2)10(3)8-12(11)14/h7-8,14H,6H2,1-5H3
InChIKeyINIQZYRSINSISJ-UHFFFAOYSA-N
XLogP3.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4,5-dimethyl-2-(2,4,4-trimethylpentan-2-yl)phenol
CID 154203171
2-[(2S)-2-amino-1-hydroxypropan-2-yl]-4,5-dimethylphenol
CID 130610700
2-(2-methylbutan-2-yl)-5-phenylbenzene-1,4-diol
CID 21459645
3-hydroxy-4-(2-methylbutan-2-yl)benzonitrile
CID 154951803
methane;2-(2-methylbutan-2-yl)benzene-1,4-diol;tungsten
CID 159220306
4-[4-hydroxy-2-methyl-5-(2-methylpentan-2-yl)phenyl]sulfanyl-5-methyl-2-(2-methylpentan-2-yl)phenol
CID 71344374
4-methoxy-2-(2-methylbutan-2-yl)phenol
CID 11557455
2,5-bis[4-(4-hydroxy-3,5-dimethylphenyl)-2-methylbutan-2-yl]benzene-1,4-diol
CID 59638972
2-tert-butyl-6-methyl-4-(2-methylbutan-2-yl)phenol
CID 20689836
2,4-ditert-butyl-5-methylphenol
CID 10346
1-methyl-2,4-bis(2-methylbutan-2-yl)benzene
CID 20667880
4-[6-[4-hydroxy-3-methyl-5-(2-methylbutan-2-yl)phenyl]hexyl]-2-methyl-6-(2-methylbutan-2-yl)phenol
CID 19003417

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-(2-methylbutan-2-yl)phenol?
The IUPAC name of 4,5-dimethyl-2-(2-methylbutan-2-yl)phenol (CID 130033349) is 4,5-dimethyl-2-(2-methylbutan-2-yl)phenol.
What is the SMILES notation for 4,5-dimethyl-2-(2-methylbutan-2-yl)phenol?
The canonical SMILES for 4,5-dimethyl-2-(2-methylbutan-2-yl)phenol is CCC(C)(C)c1cc(C)c(C)cc1O.
What is the InChIKey of 4,5-dimethyl-2-(2-methylbutan-2-yl)phenol?
The InChIKey is INIQZYRSINSISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-6-13(4,5)11-7-9(2)10(3)8-12(11)14/h7-8,14H,6H2,1-5H3.
What are the key properties of 4,5-dimethyl-2-(2-methylbutan-2-yl)phenol?
4,5-dimethyl-2-(2-methylbutan-2-yl)phenol has a molecular weight of 192.30 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-(2-methylbutan-2-yl)phenol is sourced from PubChem (CID 130033349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).