2-(2,2-dimethylpropoxy)benzene-1,4-diol

C11H16O3 — CID 18618620

IUPAC2-(2,2-dimethylpropoxy)benzene-1,4-diol
SMILESCC(C)(C)COc1cc(O)ccc1O
InChIInChI=1S/C11H16O3/c1-11(2,3)7-14-10-6-8(12)4-5-9(10)13/h4-6,12-13H,7H2,1-3H3
InChIKeyJVDDETIHWKAXKD-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.52
Rot. Bonds2

About 2-(2,2-dimethylpropoxy)benzene-1,4-diol

2-(2,2-dimethylpropoxy)benzene-1,4-diol (PubChem CID 18618620) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-(2,2-dimethylpropoxy)benzene-1,4-diol.

Molecular Properties

Compound Name2-(2,2-dimethylpropoxy)benzene-1,4-diol
PubChem CID18618620
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name2-(2,2-dimethylpropoxy)benzene-1,4-diol
SMILESCC(C)(C)COc1cc(O)ccc1O
InChIInChI=1S/C11H16O3/c1-11(2,3)7-14-10-6-8(12)4-5-9(10)13/h4-6,12-13H,7H2,1-3H3
InChIKeyJVDDETIHWKAXKD-UHFFFAOYSA-N
XLogP2.52
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 2-(2,2-dimethylpropoxy)benzene-1,4-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropoxy)benzene-1,4-diol?
The IUPAC name of 2-(2,2-dimethylpropoxy)benzene-1,4-diol (CID 18618620) is 2-(2,2-dimethylpropoxy)benzene-1,4-diol.
What is the SMILES notation for 2-(2,2-dimethylpropoxy)benzene-1,4-diol?
The canonical SMILES for 2-(2,2-dimethylpropoxy)benzene-1,4-diol is CC(C)(C)COc1cc(O)ccc1O.
What is the InChIKey of 2-(2,2-dimethylpropoxy)benzene-1,4-diol?
The InChIKey is JVDDETIHWKAXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-11(2,3)7-14-10-6-8(12)4-5-9(10)13/h4-6,12-13H,7H2,1-3H3.
What are the key properties of 2-(2,2-dimethylpropoxy)benzene-1,4-diol?
2-(2,2-dimethylpropoxy)benzene-1,4-diol has a molecular weight of 196.25 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropoxy)benzene-1,4-diol is sourced from PubChem (CID 18618620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).