bicyclo[2.2.0]hexa-1,3,5-triene;diphenylphosphane;formic acid

C19H17O2P — CID 174619172

IUPACbicyclo[2.2.0]hexa-1,3,5-triene;diphenylphosphane;formic acid
SMILESO=CO.c1cc2ccc1-2.c1ccc(Pc2ccccc2)cc1
InChIInChI=1S/C12H11P.C6H4.CH2O2/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-6-4-3-5(1)6;2-1-3/h1-10,13H;1-4H;1H,(H,2,3)
InChIKeyMSBSJNDQJDDLIZ-UHFFFAOYSA-N
MW308.32 g/mol
LogP3.68
Rot. Bonds2

About bicyclo[2.2.0]hexa-1,3,5-triene;diphenylphosphane;formic acid

bicyclo[2.2.0]hexa-1,3,5-triene;diphenylphosphane;formic acid (PubChem CID 174619172) has the molecular formula C19H17O2P and a molecular weight of 308.32 g/mol. Its IUPAC name is bicyclo[2.2.0]hexa-1,3,5-triene;diphenylphosphane;formic acid.

Molecular Properties

Compound Namebicyclo[2.2.0]hexa-1,3,5-triene;diphenylphosphane;formic acid
PubChem CID174619172
Molecular FormulaC19H17O2P
Molecular Weight308.32 g/mol
Exact Mass308.10
IUPAC Namebicyclo[2.2.0]hexa-1,3,5-triene;diphenylphosphane;formic acid
SMILESO=CO.c1cc2ccc1-2.c1ccc(Pc2ccccc2)cc1
InChIInChI=1S/C12H11P.C6H4.CH2O2/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-6-4-3-5(1)6;2-1-3/h1-10,13H;1-4H;1H,(H,2,3)
InChIKeyMSBSJNDQJDDLIZ-UHFFFAOYSA-N
XLogP3.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.32
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.0]hexa-1,3,5-triene;diphenylphosphane;formic acid?
The IUPAC name of bicyclo[2.2.0]hexa-1,3,5-triene;diphenylphosphane;formic acid (CID 174619172) is bicyclo[2.2.0]hexa-1,3,5-triene;diphenylphosphane;formic acid.
What is the SMILES notation for bicyclo[2.2.0]hexa-1,3,5-triene;diphenylphosphane;formic acid?
The canonical SMILES for bicyclo[2.2.0]hexa-1,3,5-triene;diphenylphosphane;formic acid is O=CO.c1cc2ccc1-2.c1ccc(Pc2ccccc2)cc1.
What is the InChIKey of bicyclo[2.2.0]hexa-1,3,5-triene;diphenylphosphane;formic acid?
The InChIKey is MSBSJNDQJDDLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11P.C6H4.CH2O2/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-6-4-3-5(1)6;2-1-3/h1-10,13H;1-4H;1H,(H,2,3).
What are the key properties of bicyclo[2.2.0]hexa-1,3,5-triene;diphenylphosphane;formic acid?
bicyclo[2.2.0]hexa-1,3,5-triene;diphenylphosphane;formic acid has a molecular weight of 308.32 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.0]hexa-1,3,5-triene;diphenylphosphane;formic acid is sourced from PubChem (CID 174619172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).