phenoxyphosphanyl 2,4,6-trimethylbenzoate

C16H17O3P — CID 163592575

IUPACphenoxyphosphanyl 2,4,6-trimethylbenzoate
SMILESCc1cc(C)c(C(=O)OPOc2ccccc2)c(C)c1
InChIInChI=1S/C16H17O3P/c1-11-9-12(2)15(13(3)10-11)16(17)19-20-18-14-7-5-4-6-8-14/h4-10,20H,1-3H3
InChIKeyGQSQUBWSZAMXPS-UHFFFAOYSA-N
MW288.28 g/mol
LogP4.36
Rot. Bonds4

About phenoxyphosphanyl 2,4,6-trimethylbenzoate

phenoxyphosphanyl 2,4,6-trimethylbenzoate (PubChem CID 163592575) has the molecular formula C16H17O3P and a molecular weight of 288.28 g/mol. Its IUPAC name is phenoxyphosphanyl 2,4,6-trimethylbenzoate.

Molecular Properties

Compound Namephenoxyphosphanyl 2,4,6-trimethylbenzoate
PubChem CID163592575
Molecular FormulaC16H17O3P
Molecular Weight288.28 g/mol
Exact Mass288.09
IUPAC Namephenoxyphosphanyl 2,4,6-trimethylbenzoate
SMILESCc1cc(C)c(C(=O)OPOc2ccccc2)c(C)c1
InChIInChI=1S/C16H17O3P/c1-11-9-12(2)15(13(3)10-11)16(17)19-20-18-14-7-5-4-6-8-14/h4-10,20H,1-3H3
InChIKeyGQSQUBWSZAMXPS-UHFFFAOYSA-N
XLogP4.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

triphenyl-(2,4,6-trimethylbenzoyl)oxyphosphanium
CID 156789006
oxo-phenyl-(2,4,6-trimethylbenzoyl)oxyphosphanium
CID 18432056
ethane;phenyl-(2,4,6-trimethylphenyl)methanone
CID 90795600
[phenyl-(2,4,6-trimethylbenzoyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone;hydrochloride
CID 175227644
(2-anilino-2-oxoethyl) 2,4,6-trimethylbenzoate
CID 7472995
2-phenylphosphanyloxy-1-(2,4,6-trimethylphenyl)ethanone
CID 118112452
(2,4,6-trimethylbenzoyl) quinoline-2-carboxylate
CID 18335638
methyl 2,6-dimethyl-4-phenylbenzoate
CID 10376998
diphenyl-bis(2,4,6-trimethylbenzoyl)phosphanium
CID 69491265
diphenylphosphanyl-(2,4,6-trimethylphenyl)methanone
CID 161445922
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2,4,6-trimethylbenzoate
CID 7472786
2,4,6-trimethylbenzoic acid;hydrochloride
CID 69338444

Frequently Asked Questions

What is the IUPAC name of phenoxyphosphanyl 2,4,6-trimethylbenzoate?
The IUPAC name of phenoxyphosphanyl 2,4,6-trimethylbenzoate (CID 163592575) is phenoxyphosphanyl 2,4,6-trimethylbenzoate.
What is the SMILES notation for phenoxyphosphanyl 2,4,6-trimethylbenzoate?
The canonical SMILES for phenoxyphosphanyl 2,4,6-trimethylbenzoate is Cc1cc(C)c(C(=O)OPOc2ccccc2)c(C)c1.
What is the InChIKey of phenoxyphosphanyl 2,4,6-trimethylbenzoate?
The InChIKey is GQSQUBWSZAMXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17O3P/c1-11-9-12(2)15(13(3)10-11)16(17)19-20-18-14-7-5-4-6-8-14/h4-10,20H,1-3H3.
What are the key properties of phenoxyphosphanyl 2,4,6-trimethylbenzoate?
phenoxyphosphanyl 2,4,6-trimethylbenzoate has a molecular weight of 288.28 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenoxyphosphanyl 2,4,6-trimethylbenzoate is sourced from PubChem (CID 163592575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).