diphenylphosphanyl-(2,4,6-triethylphenyl)methanone

C25H27OP — CID 141148656

IUPACdiphenylphosphanyl-(2,4,6-triethylphenyl)methanone
SMILESCCc1cc(CC)c(C(=O)P(c2ccccc2)c2ccccc2)c(CC)c1
InChIInChI=1S/C25H27OP/c1-4-19-17-20(5-2)24(21(6-3)18-19)25(26)27(22-13-9-7-10-14-22)23-15-11-8-12-16-23/h7-18H,4-6H2,1-3H3
InChIKeyHKDDLFBRQVNUIN-UHFFFAOYSA-N
MW374.46 g/mol
LogP5.65
Rot. Bonds7

About diphenylphosphanyl-(2,4,6-triethylphenyl)methanone

diphenylphosphanyl-(2,4,6-triethylphenyl)methanone (PubChem CID 141148656) has the molecular formula C25H27OP and a molecular weight of 374.46 g/mol. Its IUPAC name is diphenylphosphanyl-(2,4,6-triethylphenyl)methanone.

Molecular Properties

Compound Namediphenylphosphanyl-(2,4,6-triethylphenyl)methanone
PubChem CID141148656
Molecular FormulaC25H27OP
Molecular Weight374.46 g/mol
Exact Mass374.18
IUPAC Namediphenylphosphanyl-(2,4,6-triethylphenyl)methanone
SMILESCCc1cc(CC)c(C(=O)P(c2ccccc2)c2ccccc2)c(CC)c1
InChIInChI=1S/C25H27OP/c1-4-19-17-20(5-2)24(21(6-3)18-19)25(26)27(22-13-9-7-10-14-22)23-15-11-8-12-16-23/h7-18H,4-6H2,1-3H3
InChIKeyHKDDLFBRQVNUIN-UHFFFAOYSA-N
XLogP5.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.46
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

diphenylphosphanyl-(2,4,6-trimethylphenyl)methanone
CID 161445922
S-(2-phenylethyl) 2,4,6-triethylbenzenecarbothioate
CID 605137
2,4,6-triethylbenzoyl iodide
CID 139959913
[3,5-bis(chloromethyl)-2,4,6-trimethylphenyl]-diphenylphosphanylmethanone
CID 135303084
diphenylphosphanyl-(2,4,6-triphenylphenyl)methanone
CID 141124682
2-phenyl-N-(2,4,6-triethylphenyl)acetamide
CID 3115580
ethyl 2,4,6-triethylbenzoate
CID 12702183
1,3-bis(diphenylphosphanyl)propane-1,3-dione
CID 13144216
1-benzyl-2,4-diethylbenzene
CID 139691839
1-(2,4,6-triethylphenyl)prop-2-en-1-one
CID 103522560
[methyl-(2,4,6-triethylbenzoyl)phosphoryl]-(2,4,6-triethylphenyl)methanone
CID 54544995
carbonic acid;1,2-diethylbenzene
CID 89388803

Frequently Asked Questions

What is the IUPAC name of diphenylphosphanyl-(2,4,6-triethylphenyl)methanone?
The IUPAC name of diphenylphosphanyl-(2,4,6-triethylphenyl)methanone (CID 141148656) is diphenylphosphanyl-(2,4,6-triethylphenyl)methanone.
What is the SMILES notation for diphenylphosphanyl-(2,4,6-triethylphenyl)methanone?
The canonical SMILES for diphenylphosphanyl-(2,4,6-triethylphenyl)methanone is CCc1cc(CC)c(C(=O)P(c2ccccc2)c2ccccc2)c(CC)c1.
What is the InChIKey of diphenylphosphanyl-(2,4,6-triethylphenyl)methanone?
The InChIKey is HKDDLFBRQVNUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27OP/c1-4-19-17-20(5-2)24(21(6-3)18-19)25(26)27(22-13-9-7-10-14-22)23-15-11-8-12-16-23/h7-18H,4-6H2,1-3H3.
What are the key properties of diphenylphosphanyl-(2,4,6-triethylphenyl)methanone?
diphenylphosphanyl-(2,4,6-triethylphenyl)methanone has a molecular weight of 374.46 g/mol, XLogP of 5.65, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylphosphanyl-(2,4,6-triethylphenyl)methanone is sourced from PubChem (CID 141148656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).