diphenoxyphosphane chloride

C12H11ClO2P- — CID 19706010

IUPACdiphenoxyphosphane chloride
SMILES[Cl-].c1ccc(OPOc2ccccc2)cc1
InChIInChI=1S/C12H11O2P.ClH/c1-3-7-11(8-4-1)13-15-14-12-9-5-2-6-10-12;/h1-10,15H;1H/p-1
InChIKeyCRSHRLBSKCMDCB-UHFFFAOYSA-M
MW253.65 g/mol
LogP0.66
Rot. Bonds4

About diphenoxyphosphane chloride

diphenoxyphosphane chloride (PubChem CID 19706010) has the molecular formula C12H11ClO2P- and a molecular weight of 253.65 g/mol. Its IUPAC name is diphenoxyphosphane chloride.

Molecular Properties

Compound Namediphenoxyphosphane chloride
PubChem CID19706010
Molecular FormulaC12H11ClO2P-
Molecular Weight253.65 g/mol
Exact Mass253.02
IUPAC Namediphenoxyphosphane chloride
SMILES[Cl-].c1ccc(OPOc2ccccc2)cc1
InChIInChI=1S/C12H11O2P.ClH/c1-3-7-11(8-4-1)13-15-14-12-9-5-2-6-10-12;/h1-10,15H;1H/p-1
InChIKeyCRSHRLBSKCMDCB-UHFFFAOYSA-M
XLogP0.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.65
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 172685187
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O-phenylhydroxylamine;zinc
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Frequently Asked Questions

What is the IUPAC name of diphenoxyphosphane chloride?
The IUPAC name of diphenoxyphosphane chloride (CID 19706010) is diphenoxyphosphane chloride.
What is the SMILES notation for diphenoxyphosphane chloride?
The canonical SMILES for diphenoxyphosphane chloride is [Cl-].c1ccc(OPOc2ccccc2)cc1.
What is the InChIKey of diphenoxyphosphane chloride?
The InChIKey is CRSHRLBSKCMDCB-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H11O2P.ClH/c1-3-7-11(8-4-1)13-15-14-12-9-5-2-6-10-12;/h1-10,15H;1H/p-1.
What are the key properties of diphenoxyphosphane chloride?
diphenoxyphosphane chloride has a molecular weight of 253.65 g/mol, XLogP of 0.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenoxyphosphane chloride is sourced from PubChem (CID 19706010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).