[(4-fluorophenyl)-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone

C22H20FO2P — CID 155797932

IUPAC[(4-fluorophenyl)-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)P(=O)(c2ccccc2)c2ccc(F)cc2)c(C)c1
InChIInChI=1S/C22H20FO2P/c1-15-13-16(2)21(17(3)14-15)22(24)26(25,19-7-5-4-6-8-19)20-11-9-18(23)10-12-20/h4-14H,1-3H3
InChIKeyKKHSZCSLSKIXQQ-UHFFFAOYSA-N
MW366.37 g/mol
LogP4.91
Rot. Bonds4

About [(4-fluorophenyl)-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone

[(4-fluorophenyl)-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone (PubChem CID 155797932) has the molecular formula C22H20FO2P and a molecular weight of 366.37 g/mol. Its IUPAC name is [(4-fluorophenyl)-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone.

Molecular Properties

Compound Name[(4-fluorophenyl)-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone
PubChem CID155797932
Molecular FormulaC22H20FO2P
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC Name[(4-fluorophenyl)-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)P(=O)(c2ccccc2)c2ccc(F)cc2)c(C)c1
InChIInChI=1S/C22H20FO2P/c1-15-13-16(2)21(17(3)14-15)22(24)26(25,19-7-5-4-6-8-19)20-11-9-18(23)10-12-20/h4-14H,1-3H3
InChIKeyKKHSZCSLSKIXQQ-UHFFFAOYSA-N
XLogP4.91
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 54.91
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

diphenylphosphoryl-(2,4,6-trimethylphenyl)methanone;oxophosphane
CID 118610994
bis(4-phenylphenyl)phosphoryl-(2,4,6-trimethylphenyl)methanone
CID 162462409
CID 157152357
CID 157152357
1-[bis(aziridin-1-yl)phosphoryl]aziridine;diphenylphosphoryl-(2,4,6-trimethylphenyl)methanone
CID 22373905
[amino(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 68512342
[2,6-dimethyl-4-(sulfanylmethyl)phenyl]-diphenylphosphorylmethanone
CID 88978120
diphenylphosphoryl(phenyl)methanone;2-hydroxy-2-phenyl-1-(2,4,6-trimethylphenyl)ethanone
CID 175015018
sodium phenyl-(2,4,6-trimethylbenzoyl)phosphinate
CID 23690966
diphenylphosphoryl-[4-[[(4-diphenylphosphorylcarbonyl-3,5-dimethylphenyl)methyldisulfanyl]methyl]-2,6-dimethylphenyl]methanone
CID 146633194
[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]-[2-[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]carbonylphenyl]methanone
CID 21343895
(2-diphenylphosphorylcarbonyl-3,5-dimethylphenyl)methyl prop-2-enoate
CID 118231450
[(3-methylcyclohexa-1,5-dien-1-yl)-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 146792739

Frequently Asked Questions

What is the IUPAC name of [(4-fluorophenyl)-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone?
The IUPAC name of [(4-fluorophenyl)-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone (CID 155797932) is [(4-fluorophenyl)-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone.
What is the SMILES notation for [(4-fluorophenyl)-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone?
The canonical SMILES for [(4-fluorophenyl)-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone is Cc1cc(C)c(C(=O)P(=O)(c2ccccc2)c2ccc(F)cc2)c(C)c1.
What is the InChIKey of [(4-fluorophenyl)-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone?
The InChIKey is KKHSZCSLSKIXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FO2P/c1-15-13-16(2)21(17(3)14-15)22(24)26(25,19-7-5-4-6-8-19)20-11-9-18(23)10-12-20/h4-14H,1-3H3.
What are the key properties of [(4-fluorophenyl)-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone?
[(4-fluorophenyl)-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone has a molecular weight of 366.37 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-fluorophenyl)-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone is sourced from PubChem (CID 155797932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).