2-(3-hydroxy-2,2-dimethylpropyl)phenol

C11H16O2 — CID 135339227

IUPAC2-(3-hydroxy-2,2-dimethylpropyl)phenol
SMILESCC(C)(CO)Cc1ccccc1O
InChIInChI=1S/C11H16O2/c1-11(2,8-12)7-9-5-3-4-6-10(9)13/h3-6,12-13H,7-8H2,1-2H3
InChIKeyFYAVZBDXFVHZBS-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.95
Rot. Bonds3

About 2-(3-hydroxy-2,2-dimethylpropyl)phenol

2-(3-hydroxy-2,2-dimethylpropyl)phenol (PubChem CID 135339227) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-(3-hydroxy-2,2-dimethylpropyl)phenol.

Molecular Properties

Compound Name2-(3-hydroxy-2,2-dimethylpropyl)phenol
PubChem CID135339227
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name2-(3-hydroxy-2,2-dimethylpropyl)phenol
SMILESCC(C)(CO)Cc1ccccc1O
InChIInChI=1S/C11H16O2/c1-11(2,8-12)7-9-5-3-4-6-10(9)13/h3-6,12-13H,7-8H2,1-2H3
InChIKeyFYAVZBDXFVHZBS-UHFFFAOYSA-N
XLogP1.95
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-amino-2-methylpropyl)phenol
CID 22723438
2-(2-aminooxy-2-methylpropyl)phenol
CID 117104866
2-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]phenol
CID 115884791
2-(2-cyclopentyl-2-methylpropyl)phenol
CID 160603986
2-[2-[2-(aminomethyl)phenyl]-2-methylpropyl]phenol
CID 150452030
2-amino-2-(hydroxymethyl)propane-1,3-diol;2-ethylphenol
CID 67532608
2-[2-methyl-2-(1-methylcyclopentyl)oxypropyl]phenol
CID 67181000
2-(4-hydroxy-3-methoxy-3-methylbutyl)phenol
CID 105464121
CID 137424646
CID 137424646
2-(hydroxymethyl)phenol;methane
CID 157439231
2,2-bis[(2-hydroxyphenyl)methyl]propanedioic acid
CID 70599857
2-(2-butoxy-2-methylpropyl)phenol
CID 67182146

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-2,2-dimethylpropyl)phenol?
The IUPAC name of 2-(3-hydroxy-2,2-dimethylpropyl)phenol (CID 135339227) is 2-(3-hydroxy-2,2-dimethylpropyl)phenol.
What is the SMILES notation for 2-(3-hydroxy-2,2-dimethylpropyl)phenol?
The canonical SMILES for 2-(3-hydroxy-2,2-dimethylpropyl)phenol is CC(C)(CO)Cc1ccccc1O.
What is the InChIKey of 2-(3-hydroxy-2,2-dimethylpropyl)phenol?
The InChIKey is FYAVZBDXFVHZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-11(2,8-12)7-9-5-3-4-6-10(9)13/h3-6,12-13H,7-8H2,1-2H3.
What are the key properties of 2-(3-hydroxy-2,2-dimethylpropyl)phenol?
2-(3-hydroxy-2,2-dimethylpropyl)phenol has a molecular weight of 180.25 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-2,2-dimethylpropyl)phenol is sourced from PubChem (CID 135339227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).