2-(2,2-dimethylpropyl)-6-methylphenol

C12H18O — CID 22013258

IUPAC2-(2,2-dimethylpropyl)-6-methylphenol
SMILESCc1cccc(CC(C)(C)C)c1O
InChIInChI=1S/C12H18O/c1-9-6-5-7-10(11(9)13)8-12(2,3)4/h5-7,13H,8H2,1-4H3
InChIKeyRDQMLZLSVJTTFV-UHFFFAOYSA-N
MW178.27 g/mol
LogP3.29
Rot. Bonds1

About 2-(2,2-dimethylpropyl)-6-methylphenol

2-(2,2-dimethylpropyl)-6-methylphenol (PubChem CID 22013258) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-6-methylphenol.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-6-methylphenol
PubChem CID22013258
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name2-(2,2-dimethylpropyl)-6-methylphenol
SMILESCc1cccc(CC(C)(C)C)c1O
InChIInChI=1S/C12H18O/c1-9-6-5-7-10(11(9)13)8-12(2,3)4/h5-7,13H,8H2,1-4H3
InChIKeyRDQMLZLSVJTTFV-UHFFFAOYSA-N
XLogP3.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-6-[2-methyl-2-(methylamino)propyl]phenol
CID 83698359
2-(2,2-dimethylpropyl)-6-[[3-(2,2-dimethylpropyl)-2-hydroxyphenyl]methyl]phenol
CID 12617722
2-[(2-hydroxy-3-methylphenyl)methyl]-6-methylphenol
CID 164967326
1-(2,2-dimethylpropyl)-2-methylbenzene
CID 21464495
2-[[2-hydroxy-3-[(2-hydroxy-3-methylphenyl)methyl]phenyl]methyl]-6-methylphenol
CID 20768179
3-ethylbenzene-1,2-diol;3-methylbenzene-1,2-diol
CID 158712110
tris[(2-hydroxy-3-methylphenyl)methyl]-methylazanium
CID 140618052
butane-2,2-diol;3-methylbenzene-1,2-diol
CID 174976791
2-[[bis[(2-hydroxy-3-methylphenyl)methyl]-methylsilyl]methyl]-6-methylphenol
CID 71653781
2-(2-bromoethyl)-6-methylphenol
CID 21464053
2-methyl-6-undecylphenol
CID 174998801
butane;2,6-dimethylphenol;ethane
CID 143018459

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-6-methylphenol?
The IUPAC name of 2-(2,2-dimethylpropyl)-6-methylphenol (CID 22013258) is 2-(2,2-dimethylpropyl)-6-methylphenol.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-6-methylphenol?
The canonical SMILES for 2-(2,2-dimethylpropyl)-6-methylphenol is Cc1cccc(CC(C)(C)C)c1O.
What is the InChIKey of 2-(2,2-dimethylpropyl)-6-methylphenol?
The InChIKey is RDQMLZLSVJTTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-9-6-5-7-10(11(9)13)8-12(2,3)4/h5-7,13H,8H2,1-4H3.
What are the key properties of 2-(2,2-dimethylpropyl)-6-methylphenol?
2-(2,2-dimethylpropyl)-6-methylphenol has a molecular weight of 178.27 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-6-methylphenol is sourced from PubChem (CID 22013258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).