2-dimethylphosphanylnaphthalene-1,4-diol

C12H13O2P — CID 141045981

IUPAC2-dimethylphosphanylnaphthalene-1,4-diol
SMILESCP(C)c1cc(O)c2ccccc2c1O
InChIInChI=1S/C12H13O2P/c1-15(2)11-7-10(13)8-5-3-4-6-9(8)12(11)14/h3-7,13-14H,1-2H3
InChIKeyWTXKZZSRSZBBIG-UHFFFAOYSA-N
MW220.21 g/mol
LogP2.62
Rot. Bonds1

About 2-dimethylphosphanylnaphthalene-1,4-diol

2-dimethylphosphanylnaphthalene-1,4-diol (PubChem CID 141045981) has the molecular formula C12H13O2P and a molecular weight of 220.21 g/mol. Its IUPAC name is 2-dimethylphosphanylnaphthalene-1,4-diol.

Molecular Properties

Compound Name2-dimethylphosphanylnaphthalene-1,4-diol
PubChem CID141045981
Molecular FormulaC12H13O2P
Molecular Weight220.21 g/mol
Exact Mass220.07
IUPAC Name2-dimethylphosphanylnaphthalene-1,4-diol
SMILESCP(C)c1cc(O)c2ccccc2c1O
InChIInChI=1S/C12H13O2P/c1-15(2)11-7-10(13)8-5-3-4-6-9(8)12(11)14/h3-7,13-14H,1-2H3
InChIKeyWTXKZZSRSZBBIG-UHFFFAOYSA-N
XLogP2.62
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.21
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-dimethylphosphanylnaphthalene-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-dimethylphosphanylnaphthalene-1,4-diol?
The IUPAC name of 2-dimethylphosphanylnaphthalene-1,4-diol (CID 141045981) is 2-dimethylphosphanylnaphthalene-1,4-diol.
What is the SMILES notation for 2-dimethylphosphanylnaphthalene-1,4-diol?
The canonical SMILES for 2-dimethylphosphanylnaphthalene-1,4-diol is CP(C)c1cc(O)c2ccccc2c1O.
What is the InChIKey of 2-dimethylphosphanylnaphthalene-1,4-diol?
The InChIKey is WTXKZZSRSZBBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13O2P/c1-15(2)11-7-10(13)8-5-3-4-6-9(8)12(11)14/h3-7,13-14H,1-2H3.
What are the key properties of 2-dimethylphosphanylnaphthalene-1,4-diol?
2-dimethylphosphanylnaphthalene-1,4-diol has a molecular weight of 220.21 g/mol, XLogP of 2.62, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethylphosphanylnaphthalene-1,4-diol is sourced from PubChem (CID 141045981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).