[(Z)-1-diphenylphosphoryloxyprop-1-enyl]benzene

C21H19O2P — CID 12869462

IUPAC[(Z)-1-diphenylphosphoryloxyprop-1-enyl]benzene
SMILESC/C=C(\OP(=O)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H19O2P/c1-2-21(18-12-6-3-7-13-18)23-24(22,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h2-17H,1H3/b21-2-
InChIKeyCWMILCFWNTUSIA-SEJLVSSPSA-N
MW334.36 g/mol
LogP4.99
Rot. Bonds5

About [(Z)-1-diphenylphosphoryloxyprop-1-enyl]benzene

[(Z)-1-diphenylphosphoryloxyprop-1-enyl]benzene (PubChem CID 12869462) has the molecular formula C21H19O2P and a molecular weight of 334.36 g/mol. Its IUPAC name is [(Z)-1-diphenylphosphoryloxyprop-1-enyl]benzene.

Molecular Properties

Compound Name[(Z)-1-diphenylphosphoryloxyprop-1-enyl]benzene
PubChem CID12869462
Molecular FormulaC21H19O2P
Molecular Weight334.36 g/mol
Exact Mass334.11
IUPAC Name[(Z)-1-diphenylphosphoryloxyprop-1-enyl]benzene
SMILESC/C=C(\OP(=O)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H19O2P/c1-2-21(18-12-6-3-7-13-18)23-24(22,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h2-17H,1H3/b21-2-
InChIKeyCWMILCFWNTUSIA-SEJLVSSPSA-N
XLogP4.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.36
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

diethyl 1-phenylprop-1-enyl phosphate
CID 71355749
1,2-diphenylethenyl dihydrogen phosphate
CID 57178972
diphenylphosphoryl 4-tert-butylbenzoate
CID 150039694
1,2-bis(1-phenylprop-1-enoxy)benzene
CID 70405108
1-bromo-4-(1-diphenoxyphosphoryl-4-diphenylphosphoryloxy-1-fluoro-4-phenylbuta-1,3-dien-2-yl)benzene
CID 175435759
dimethyl-[(E)-1-phenylprop-1-enoxy]-trimethylsilylsilane
CID 122234206
CID 54525975
CID 54525975
[(Z)-2-[(E)-2-diphenylphosphoryl-1-phenylethenoxy]-2-phenylethenyl]benzene
CID 134935737
but-2-enoyloxy(phenyl)phosphinic acid
CID 151893149
1-dimethylphosphoryloxyethenylbenzene
CID 12869457
tert-butyl-dimethyl-[(Z)-1-phenylprop-1-enoxy]silane
CID 10377349
1-[ethoxy(phenyl)phosphoryl]-4-methylbenzene
CID 11543464

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-diphenylphosphoryloxyprop-1-enyl]benzene?
The IUPAC name of [(Z)-1-diphenylphosphoryloxyprop-1-enyl]benzene (CID 12869462) is [(Z)-1-diphenylphosphoryloxyprop-1-enyl]benzene.
What is the SMILES notation for [(Z)-1-diphenylphosphoryloxyprop-1-enyl]benzene?
The canonical SMILES for [(Z)-1-diphenylphosphoryloxyprop-1-enyl]benzene is C/C=C(\OP(=O)(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of [(Z)-1-diphenylphosphoryloxyprop-1-enyl]benzene?
The InChIKey is CWMILCFWNTUSIA-SEJLVSSPSA-N. The full InChI is InChI=1S/C21H19O2P/c1-2-21(18-12-6-3-7-13-18)23-24(22,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h2-17H,1H3/b21-2-.
What are the key properties of [(Z)-1-diphenylphosphoryloxyprop-1-enyl]benzene?
[(Z)-1-diphenylphosphoryloxyprop-1-enyl]benzene has a molecular weight of 334.36 g/mol, XLogP of 4.99, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-diphenylphosphoryloxyprop-1-enyl]benzene is sourced from PubChem (CID 12869462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).