4-(3-hydroxy-2,2-dimethylpropyl)-2,6-dimethylphenol

C13H20O2 — CID 19088213

IUPAC4-(3-hydroxy-2,2-dimethylpropyl)-2,6-dimethylphenol
SMILESCc1cc(CC(C)(C)CO)cc(C)c1O
InChIInChI=1S/C13H20O2/c1-9-5-11(6-10(2)12(9)15)7-13(3,4)8-14/h5-6,14-15H,7-8H2,1-4H3
InChIKeyDEFMJDSVLYCTHY-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.57
Rot. Bonds3

About 4-(3-hydroxy-2,2-dimethylpropyl)-2,6-dimethylphenol

4-(3-hydroxy-2,2-dimethylpropyl)-2,6-dimethylphenol (PubChem CID 19088213) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 4-(3-hydroxy-2,2-dimethylpropyl)-2,6-dimethylphenol.

Molecular Properties

Compound Name4-(3-hydroxy-2,2-dimethylpropyl)-2,6-dimethylphenol
PubChem CID19088213
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name4-(3-hydroxy-2,2-dimethylpropyl)-2,6-dimethylphenol
SMILESCc1cc(CC(C)(C)CO)cc(C)c1O
InChIInChI=1S/C13H20O2/c1-9-5-11(6-10(2)12(9)15)7-13(3,4)8-14/h5-6,14-15H,7-8H2,1-4H3
InChIKeyDEFMJDSVLYCTHY-UHFFFAOYSA-N
XLogP2.57
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3-hydroxy-2,2-dimethylpropyl) 4-hydroxy-3,5-dimethylbenzoate
CID 102314733
4-ethyl-2,6-dimethylphenol;methane
CID 159618487
ethane;4-ethyl-2,6-dimethylphenol
CID 143343408
3-(4-ethylphenyl)-2,2-dimethylpropan-1-ol
CID 21254615
4-[(3,5-dimethylanilino)methyl]-2,6-dimethylphenol
CID 28932342
4-[[4-[(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]methyl]-2,6-dimethylphenol
CID 22492711
4-[6-(4-hydroxy-3,5-dimethylphenyl)hexyl]-2,6-dimethylphenol
CID 174910624
4-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-2,6-dimethylphenol
CID 131427430
3-[3-bromo-4-(3-hydroxy-2,2-dimethylpropyl)phenyl]-2,2-dimethylpropan-1-ol
CID 21312579
4-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]-2,6-dimethylphenol
CID 70988485
2,5-bis[4-(4-hydroxy-3,5-dimethylphenyl)-2-methylbutan-2-yl]benzene-1,4-diol
CID 59638972
2,6-dimethyl-4-pentylphenol
CID 22625507

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxy-2,2-dimethylpropyl)-2,6-dimethylphenol?
The IUPAC name of 4-(3-hydroxy-2,2-dimethylpropyl)-2,6-dimethylphenol (CID 19088213) is 4-(3-hydroxy-2,2-dimethylpropyl)-2,6-dimethylphenol.
What is the SMILES notation for 4-(3-hydroxy-2,2-dimethylpropyl)-2,6-dimethylphenol?
The canonical SMILES for 4-(3-hydroxy-2,2-dimethylpropyl)-2,6-dimethylphenol is Cc1cc(CC(C)(C)CO)cc(C)c1O.
What is the InChIKey of 4-(3-hydroxy-2,2-dimethylpropyl)-2,6-dimethylphenol?
The InChIKey is DEFMJDSVLYCTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-9-5-11(6-10(2)12(9)15)7-13(3,4)8-14/h5-6,14-15H,7-8H2,1-4H3.
What are the key properties of 4-(3-hydroxy-2,2-dimethylpropyl)-2,6-dimethylphenol?
4-(3-hydroxy-2,2-dimethylpropyl)-2,6-dimethylphenol has a molecular weight of 208.30 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxy-2,2-dimethylpropyl)-2,6-dimethylphenol is sourced from PubChem (CID 19088213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).