4-(2,2-dimethylpropyl)-3,5-dimethylphenol

C13H20O — CID 134338479

IUPAC4-(2,2-dimethylpropyl)-3,5-dimethylphenol
SMILESCc1cc(O)cc(C)c1CC(C)(C)C
InChIInChI=1S/C13H20O/c1-9-6-11(14)7-10(2)12(9)8-13(3,4)5/h6-7,14H,8H2,1-5H3
InChIKeySUDSXLQEUZGLDW-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.60
Rot. Bonds1

About 4-(2,2-dimethylpropyl)-3,5-dimethylphenol

4-(2,2-dimethylpropyl)-3,5-dimethylphenol (PubChem CID 134338479) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-3,5-dimethylphenol.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-3,5-dimethylphenol
PubChem CID134338479
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name4-(2,2-dimethylpropyl)-3,5-dimethylphenol
SMILESCc1cc(O)cc(C)c1CC(C)(C)C
InChIInChI=1S/C13H20O/c1-9-6-11(14)7-10(2)12(9)8-13(3,4)5/h6-7,14H,8H2,1-5H3
InChIKeySUDSXLQEUZGLDW-UHFFFAOYSA-N
XLogP3.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-tert-Pentylphenol
CID 6643
Bisphenol A
CID 6623
2,4-Dimethylphenol
CID 7771
2-Naphthol
CID 8663
Tert-Butylhydroquinone
CID 16043
2,6-Di-tert-butyl-4-methylphenol
CID 31404
4-tert-Butylphenol
CID 7393
4-tert-Butylcatechol
CID 7381
Hexestrol
CID 192197
4-Nonylphenol
CID 1752
2,4-Di-tert-butylphenol
CID 7311
4-Tert-octylphenol
CID 8814

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-3,5-dimethylphenol?
The IUPAC name of 4-(2,2-dimethylpropyl)-3,5-dimethylphenol (CID 134338479) is 4-(2,2-dimethylpropyl)-3,5-dimethylphenol.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-3,5-dimethylphenol?
The canonical SMILES for 4-(2,2-dimethylpropyl)-3,5-dimethylphenol is Cc1cc(O)cc(C)c1CC(C)(C)C.
What is the InChIKey of 4-(2,2-dimethylpropyl)-3,5-dimethylphenol?
The InChIKey is SUDSXLQEUZGLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-9-6-11(14)7-10(2)12(9)8-13(3,4)5/h6-7,14H,8H2,1-5H3.
What are the key properties of 4-(2,2-dimethylpropyl)-3,5-dimethylphenol?
4-(2,2-dimethylpropyl)-3,5-dimethylphenol has a molecular weight of 192.30 g/mol, XLogP of 3.60, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-3,5-dimethylphenol is sourced from PubChem (CID 134338479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).