1-phosphorosooxybiphenylene

C12H7O2P — CID 87351923

IUPAC1-phosphorosooxybiphenylene
SMILESO=POc1cccc2c1-c1ccccc1-2
InChIInChI=1S/C12H7O2P/c13-15-14-11-7-3-6-10-8-4-1-2-5-9(8)12(10)11/h1-7H
InChIKeySLTWPSTZPIUVHX-UHFFFAOYSA-N
MW214.16 g/mol
LogP3.92
Rot. Bonds2

About 1-phosphorosooxybiphenylene

1-phosphorosooxybiphenylene (PubChem CID 87351923) has the molecular formula C12H7O2P and a molecular weight of 214.16 g/mol. Its IUPAC name is 1-phosphorosooxybiphenylene.

Molecular Properties

Compound Name1-phosphorosooxybiphenylene
PubChem CID87351923
Molecular FormulaC12H7O2P
Molecular Weight214.16 g/mol
Exact Mass214.02
IUPAC Name1-phosphorosooxybiphenylene
SMILESO=POc1cccc2c1-c1ccccc1-2
InChIInChI=1S/C12H7O2P/c13-15-14-11-7-3-6-10-8-4-1-2-5-9(8)12(10)11/h1-7H
InChIKeySLTWPSTZPIUVHX-UHFFFAOYSA-N
XLogP3.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.16
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-phosphorosooxybiphenylene 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 1-phosphorosooxybiphenylene?
The IUPAC name of 1-phosphorosooxybiphenylene (CID 87351923) is 1-phosphorosooxybiphenylene.
What is the SMILES notation for 1-phosphorosooxybiphenylene?
The canonical SMILES for 1-phosphorosooxybiphenylene is O=POc1cccc2c1-c1ccccc1-2.
What is the InChIKey of 1-phosphorosooxybiphenylene?
The InChIKey is SLTWPSTZPIUVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7O2P/c13-15-14-11-7-3-6-10-8-4-1-2-5-9(8)12(10)11/h1-7H.
What are the key properties of 1-phosphorosooxybiphenylene?
1-phosphorosooxybiphenylene has a molecular weight of 214.16 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phosphorosooxybiphenylene is sourced from PubChem (CID 87351923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).