1-diphenylphosphoryloxy-2-propan-2-ylbenzene

C21H21O2P — CID 118862439

IUPAC1-diphenylphosphoryloxy-2-propan-2-ylbenzene
SMILESCC(C)c1ccccc1OP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H21O2P/c1-17(2)20-15-9-10-16-21(20)23-24(22,18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-17H,1-2H3
InChIKeyANRGSLPIXFMCOC-UHFFFAOYSA-N
MW336.37 g/mol
LogP5.12
Rot. Bonds5

About 1-diphenylphosphoryloxy-2-propan-2-ylbenzene

1-diphenylphosphoryloxy-2-propan-2-ylbenzene (PubChem CID 118862439) has the molecular formula C21H21O2P and a molecular weight of 336.37 g/mol. Its IUPAC name is 1-diphenylphosphoryloxy-2-propan-2-ylbenzene.

Molecular Properties

Compound Name1-diphenylphosphoryloxy-2-propan-2-ylbenzene
PubChem CID118862439
Molecular FormulaC21H21O2P
Molecular Weight336.37 g/mol
Exact Mass336.13
IUPAC Name1-diphenylphosphoryloxy-2-propan-2-ylbenzene
SMILESCC(C)c1ccccc1OP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H21O2P/c1-17(2)20-15-9-10-16-21(20)23-24(22,18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-17H,1-2H3
InChIKeyANRGSLPIXFMCOC-UHFFFAOYSA-N
XLogP5.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.37
LogP ≤ 55.12
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

1,8-bis(diphenylphosphoryloxy)naphthalene
CID 631205
1-[[2,3-di(propan-2-yl)phenoxy]-phenylphosphoryl]oxy-2,3-di(propan-2-yl)benzene
CID 118862449
(2-propan-2-ylphenyl) bis(2,3,4-tribromophenyl) phosphate
CID 88755851
dibutyl (2-propan-2-ylphenyl) phosphate
CID 68581735
1-[methyl(phenyl)phosphoryl]-2-propan-2-ylbenzene
CID 44633938
ethane;1-methoxy-2-propan-2-ylbenzene
CID 144548142
ethane;1-methoxy-2-propan-2-ylbenzene
CID 142030907
1-bromo-2-(1-diphenylphosphoryloxyethyl)benzene
CID 15877454
(2-propan-2-ylphenoxy)methyl dihydrogen phosphate
CID 141133004
N-diphenylphosphoryl-2,6-di(propan-2-yl)aniline
CID 102170611
[2-(2-methylphenyl)-6-propan-2-ylphenyl] (2-propan-2-ylphenyl) hydrogen phosphate
CID 141150227
2-bis(4-methoxyphenyl)phosphoryloxyphenol
CID 3304496

Frequently Asked Questions

What is the IUPAC name of 1-diphenylphosphoryloxy-2-propan-2-ylbenzene?
The IUPAC name of 1-diphenylphosphoryloxy-2-propan-2-ylbenzene (CID 118862439) is 1-diphenylphosphoryloxy-2-propan-2-ylbenzene.
What is the SMILES notation for 1-diphenylphosphoryloxy-2-propan-2-ylbenzene?
The canonical SMILES for 1-diphenylphosphoryloxy-2-propan-2-ylbenzene is CC(C)c1ccccc1OP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-diphenylphosphoryloxy-2-propan-2-ylbenzene?
The InChIKey is ANRGSLPIXFMCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21O2P/c1-17(2)20-15-9-10-16-21(20)23-24(22,18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-17H,1-2H3.
What are the key properties of 1-diphenylphosphoryloxy-2-propan-2-ylbenzene?
1-diphenylphosphoryloxy-2-propan-2-ylbenzene has a molecular weight of 336.37 g/mol, XLogP of 5.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diphenylphosphoryloxy-2-propan-2-ylbenzene is sourced from PubChem (CID 118862439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).