diphenylphosphanyl 4-ethenyl-2,6-dimethylbenzoate

C23H21O2P — CID 141028133

IUPACdiphenylphosphanyl 4-ethenyl-2,6-dimethylbenzoate
SMILESC=Cc1cc(C)c(C(=O)OP(c2ccccc2)c2ccccc2)c(C)c1
InChIInChI=1S/C23H21O2P/c1-4-19-15-17(2)22(18(3)16-19)23(24)25-26(20-11-7-5-8-12-20)21-13-9-6-10-14-21/h4-16H,1H2,2-3H3
InChIKeyQADCMYHYVBAUMQ-UHFFFAOYSA-N
MW360.39 g/mol
LogP5.15
Rot. Bonds5

About diphenylphosphanyl 4-ethenyl-2,6-dimethylbenzoate

diphenylphosphanyl 4-ethenyl-2,6-dimethylbenzoate (PubChem CID 141028133) has the molecular formula C23H21O2P and a molecular weight of 360.39 g/mol. Its IUPAC name is diphenylphosphanyl 4-ethenyl-2,6-dimethylbenzoate.

Molecular Properties

Compound Namediphenylphosphanyl 4-ethenyl-2,6-dimethylbenzoate
PubChem CID141028133
Molecular FormulaC23H21O2P
Molecular Weight360.39 g/mol
Exact Mass360.13
IUPAC Namediphenylphosphanyl 4-ethenyl-2,6-dimethylbenzoate
SMILESC=Cc1cc(C)c(C(=O)OP(c2ccccc2)c2ccccc2)c(C)c1
InChIInChI=1S/C23H21O2P/c1-4-19-15-17(2)22(18(3)16-19)23(24)25-26(20-11-7-5-8-12-20)21-13-9-6-10-14-21/h4-16H,1H2,2-3H3
InChIKeyQADCMYHYVBAUMQ-UHFFFAOYSA-N
XLogP5.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.39
LogP ≤ 55.15
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

5-ethenyl-1,2,3-trimethylbenzene;triphenylphosphane
CID 91183507
diphenylphosphanyl 2,4,6-triphenylbenzoate
CID 164898462
methyl 4-ethenyl-2-fluoro-6-methylbenzoate
CID 155482448
(4-ethenyl-2,6-dimethylphenyl)-phosphorosomethanone
CID 23505035
dimethyl 2-methylidenebutanedioate;styrene
CID 22357357
phenoxyphosphanyl 2,4,6-trimethylbenzoate
CID 163592575
diphenylphosphanyl thiophene-2-carboxylate
CID 150820036
triphenyl-(2,4,6-trimethylbenzoyl)oxyphosphanium
CID 156789006
[phenyl-(2,3,4,6-tetramethylbenzoyl)phosphanyl] 2,4,6-trimethoxybenzoate
CID 141016379
4-ethenyl-2-methylphenol;styrene
CID 158833032
methyl 2,6-dimethyl-4-phenylbenzoate
CID 10376998
diphenylphosphanyl-(2,4,6-trimethylphenyl)methanone
CID 161445922

Frequently Asked Questions

What is the IUPAC name of diphenylphosphanyl 4-ethenyl-2,6-dimethylbenzoate?
The IUPAC name of diphenylphosphanyl 4-ethenyl-2,6-dimethylbenzoate (CID 141028133) is diphenylphosphanyl 4-ethenyl-2,6-dimethylbenzoate.
What is the SMILES notation for diphenylphosphanyl 4-ethenyl-2,6-dimethylbenzoate?
The canonical SMILES for diphenylphosphanyl 4-ethenyl-2,6-dimethylbenzoate is C=Cc1cc(C)c(C(=O)OP(c2ccccc2)c2ccccc2)c(C)c1.
What is the InChIKey of diphenylphosphanyl 4-ethenyl-2,6-dimethylbenzoate?
The InChIKey is QADCMYHYVBAUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21O2P/c1-4-19-15-17(2)22(18(3)16-19)23(24)25-26(20-11-7-5-8-12-20)21-13-9-6-10-14-21/h4-16H,1H2,2-3H3.
What are the key properties of diphenylphosphanyl 4-ethenyl-2,6-dimethylbenzoate?
diphenylphosphanyl 4-ethenyl-2,6-dimethylbenzoate has a molecular weight of 360.39 g/mol, XLogP of 5.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylphosphanyl 4-ethenyl-2,6-dimethylbenzoate is sourced from PubChem (CID 141028133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).