biphenylen-1-ylphosphonous acid

C12H9O2P — CID 18414832

IUPACbiphenylen-1-ylphosphonous acid
SMILESOP(O)c1cccc2c1-c1ccccc1-2
InChIInChI=1S/C12H9O2P/c13-15(14)11-7-3-6-10-8-4-1-2-5-9(8)12(10)11/h1-7,13-14H
InChIKeyHAWRMIAGSBJNQS-UHFFFAOYSA-N
MW216.18 g/mol
LogP2.26
Rot. Bonds1

About biphenylen-1-ylphosphonous acid

biphenylen-1-ylphosphonous acid (PubChem CID 18414832) has the molecular formula C12H9O2P and a molecular weight of 216.18 g/mol. Its IUPAC name is biphenylen-1-ylphosphonous acid.

Molecular Properties

Compound Namebiphenylen-1-ylphosphonous acid
PubChem CID18414832
Molecular FormulaC12H9O2P
Molecular Weight216.18 g/mol
Exact Mass216.03
IUPAC Namebiphenylen-1-ylphosphonous acid
SMILESOP(O)c1cccc2c1-c1ccccc1-2
InChIInChI=1S/C12H9O2P/c13-15(14)11-7-3-6-10-8-4-1-2-5-9(8)12(10)11/h1-7,13-14H
InChIKeyHAWRMIAGSBJNQS-UHFFFAOYSA-N
XLogP2.26
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.18
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of biphenylen-1-ylphosphonous acid?
The IUPAC name of biphenylen-1-ylphosphonous acid (CID 18414832) is biphenylen-1-ylphosphonous acid.
What is the SMILES notation for biphenylen-1-ylphosphonous acid?
The canonical SMILES for biphenylen-1-ylphosphonous acid is OP(O)c1cccc2c1-c1ccccc1-2.
What is the InChIKey of biphenylen-1-ylphosphonous acid?
The InChIKey is HAWRMIAGSBJNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9O2P/c13-15(14)11-7-3-6-10-8-4-1-2-5-9(8)12(10)11/h1-7,13-14H.
What are the key properties of biphenylen-1-ylphosphonous acid?
biphenylen-1-ylphosphonous acid has a molecular weight of 216.18 g/mol, XLogP of 2.26, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for biphenylen-1-ylphosphonous acid is sourced from PubChem (CID 18414832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).