[ethoxy(phenyl)phosphoryl]-(2,4,5-trimethylphenyl)methanone

C18H21O3P — CID 171613029

IUPAC[ethoxy(phenyl)phosphoryl]-(2,4,5-trimethylphenyl)methanone
SMILESCCOP(=O)(C(=O)c1cc(C)c(C)cc1C)c1ccccc1
InChIInChI=1S/C18H21O3P/c1-5-21-22(20,16-9-7-6-8-10-16)18(19)17-12-14(3)13(2)11-15(17)4/h6-12H,5H2,1-4H3
InChIKeyVTBYNWNHEGYALQ-UHFFFAOYSA-N
MW316.34 g/mol
LogP4.39
Rot. Bonds5

About [ethoxy(phenyl)phosphoryl]-(2,4,5-trimethylphenyl)methanone

[ethoxy(phenyl)phosphoryl]-(2,4,5-trimethylphenyl)methanone (PubChem CID 171613029) has the molecular formula C18H21O3P and a molecular weight of 316.34 g/mol. Its IUPAC name is [ethoxy(phenyl)phosphoryl]-(2,4,5-trimethylphenyl)methanone.

Molecular Properties

Compound Name[ethoxy(phenyl)phosphoryl]-(2,4,5-trimethylphenyl)methanone
PubChem CID171613029
Molecular FormulaC18H21O3P
Molecular Weight316.34 g/mol
Exact Mass316.12
IUPAC Name[ethoxy(phenyl)phosphoryl]-(2,4,5-trimethylphenyl)methanone
SMILESCCOP(=O)(C(=O)c1cc(C)c(C)cc1C)c1ccccc1
InChIInChI=1S/C18H21O3P/c1-5-21-22(20,16-9-7-6-8-10-16)18(19)17-12-14(3)13(2)11-15(17)4/h6-12H,5H2,1-4H3
InChIKeyVTBYNWNHEGYALQ-UHFFFAOYSA-N
XLogP4.39
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 54.39
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

[3-[ethoxy(phenyl)phosphoryl]carbonyl-2,4,6-trimethylphenyl]-phenylmethanone
CID 118237088
[ethoxy(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone;[methoxy(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 161461233
N-butyl-N'-[3-[ethoxy(phenyl)phosphoryl]carbonyl-2,4,6-trimethylphenyl]oxamide
CID 146277873
2-chloro-N-[2,2-dichloro-1-[ethoxy(phenyl)phosphoryl]ethenyl]benzamide
CID 2305792
(E)-2-benzamido-3-[ethoxy(phenyl)phosphoryl]-3-phenylprop-2-enoic acid
CID 11863428
(Z)-2-benzamido-3-[ethoxy(phenyl)phosphoryl]-3-phenylprop-2-enoic acid
CID 2053046
1-[ethoxy(phenyl)phosphoryl]-4-methylbenzene
CID 11543464
(Z)-2-[ethoxy(phenyl)phosphoryl]-1,3-diphenylprop-2-en-1-one
CID 5475891
(2,4-dichloro-3-diphenylphosphorylcarbonylphenyl)-phenylmethanone;(3-diphenylphosphorylcarbonyl-2,4-dimethoxyphenyl)-phenylmethanone;(3-diphenylphosphorylcarbonyl-2,4-dimethylphenyl)-phenylmethanone;(3-diphenylphosphorylcarbonyl-2,4,6-trimethylphenyl)-phenylmethanone;[3-[ethoxy(phenyl)phosphoryl]carbonyl-2,4-dimethylphenyl]-phenylmethanone;[3-[ethoxy(phenyl)phosphoryl]carbonyl-2,4,6-trimethylphenyl]-phenylmethanone
CID 159553468
4-[2-[ethoxy(phenyl)phosphoryl]carbonylbenzoyl]oxybutyl 2-[ethoxy(phenyl)phosphoryl]carbonylbenzoate;[4-[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]phenyl]methyl 2,2-dimethylbutanoate
CID 161000292
[ethoxy-[ethoxy(phenyl)phosphoryl]oxyphosphoryl]benzene
CID 23415634
methyl 3-[ethoxy(phenyl)phosphoryl]benzoate
CID 135065720

Frequently Asked Questions

What is the IUPAC name of [ethoxy(phenyl)phosphoryl]-(2,4,5-trimethylphenyl)methanone?
The IUPAC name of [ethoxy(phenyl)phosphoryl]-(2,4,5-trimethylphenyl)methanone (CID 171613029) is [ethoxy(phenyl)phosphoryl]-(2,4,5-trimethylphenyl)methanone.
What is the SMILES notation for [ethoxy(phenyl)phosphoryl]-(2,4,5-trimethylphenyl)methanone?
The canonical SMILES for [ethoxy(phenyl)phosphoryl]-(2,4,5-trimethylphenyl)methanone is CCOP(=O)(C(=O)c1cc(C)c(C)cc1C)c1ccccc1.
What is the InChIKey of [ethoxy(phenyl)phosphoryl]-(2,4,5-trimethylphenyl)methanone?
The InChIKey is VTBYNWNHEGYALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21O3P/c1-5-21-22(20,16-9-7-6-8-10-16)18(19)17-12-14(3)13(2)11-15(17)4/h6-12H,5H2,1-4H3.
What are the key properties of [ethoxy(phenyl)phosphoryl]-(2,4,5-trimethylphenyl)methanone?
[ethoxy(phenyl)phosphoryl]-(2,4,5-trimethylphenyl)methanone has a molecular weight of 316.34 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [ethoxy(phenyl)phosphoryl]-(2,4,5-trimethylphenyl)methanone is sourced from PubChem (CID 171613029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).