[3-[ethoxy(phenyl)phosphoryl]carbonyl-2,4,6-trimethylphenyl]-phenylmethanone

C25H25O4P — CID 118237088

IUPAC[3-[ethoxy(phenyl)phosphoryl]carbonyl-2,4,6-trimethylphenyl]-phenylmethanone
SMILESCCOP(=O)(C(=O)c1c(C)cc(C)c(C(=O)c2ccccc2)c1C)c1ccccc1
InChIInChI=1S/C25H25O4P/c1-5-29-30(28,21-14-10-7-11-15-21)25(27)23-18(3)16-17(2)22(19(23)4)24(26)20-12-8-6-9-13-20/h6-16H,5H2,1-4H3
InChIKeyDMEKIRJYJZTAGQ-UHFFFAOYSA-N
MW420.45 g/mol
LogP5.62
Rot. Bonds7

About [3-[ethoxy(phenyl)phosphoryl]carbonyl-2,4,6-trimethylphenyl]-phenylmethanone

[3-[ethoxy(phenyl)phosphoryl]carbonyl-2,4,6-trimethylphenyl]-phenylmethanone (PubChem CID 118237088) has the molecular formula C25H25O4P and a molecular weight of 420.45 g/mol. Its IUPAC name is [3-[ethoxy(phenyl)phosphoryl]carbonyl-2,4,6-trimethylphenyl]-phenylmethanone.

Molecular Properties

Compound Name[3-[ethoxy(phenyl)phosphoryl]carbonyl-2,4,6-trimethylphenyl]-phenylmethanone
PubChem CID118237088
Molecular FormulaC25H25O4P
Molecular Weight420.45 g/mol
Exact Mass420.15
IUPAC Name[3-[ethoxy(phenyl)phosphoryl]carbonyl-2,4,6-trimethylphenyl]-phenylmethanone
SMILESCCOP(=O)(C(=O)c1c(C)cc(C)c(C(=O)c2ccccc2)c1C)c1ccccc1
InChIInChI=1S/C25H25O4P/c1-5-29-30(28,21-14-10-7-11-15-21)25(27)23-18(3)16-17(2)22(19(23)4)24(26)20-12-8-6-9-13-20/h6-16H,5H2,1-4H3
InChIKeyDMEKIRJYJZTAGQ-UHFFFAOYSA-N
XLogP5.62
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.45
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[ethoxy(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone;[methoxy(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 161461233
[ethoxy(phenyl)phosphoryl]-(2,4,5-trimethylphenyl)methanone
CID 171613029
(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
N-butyl-N'-[3-[ethoxy(phenyl)phosphoryl]carbonyl-2,4,6-trimethylphenyl]oxamide
CID 146277873
3-benzoyl-2,4,6-trimethylbenzoic acid
CID 90027498
(3-ethyl-2,4,6-trimethylbenzoyl)-phenylphosphinic acid
CID 175778832
(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
N-(3-diphenylphosphorylcarbonyl-2,4,6-trimethylphenyl)-2-ethoxyacetamide
CID 177063113
tris[2-(3-diphenylphosphorylcarbonyl-2,4,6-trimethylphenyl)-2-oxoethyl] benzene-1,3,5-tricarboxylate
CID 140903590
(Z)-2-[ethoxy(phenyl)phosphoryl]-1,3-diphenylprop-2-en-1-one
CID 5475891
[2-[2-(dimethylamino)ethoxy]ethoxy-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 59630158

Frequently Asked Questions

What is the IUPAC name of [3-[ethoxy(phenyl)phosphoryl]carbonyl-2,4,6-trimethylphenyl]-phenylmethanone?
The IUPAC name of [3-[ethoxy(phenyl)phosphoryl]carbonyl-2,4,6-trimethylphenyl]-phenylmethanone (CID 118237088) is [3-[ethoxy(phenyl)phosphoryl]carbonyl-2,4,6-trimethylphenyl]-phenylmethanone.
What is the SMILES notation for [3-[ethoxy(phenyl)phosphoryl]carbonyl-2,4,6-trimethylphenyl]-phenylmethanone?
The canonical SMILES for [3-[ethoxy(phenyl)phosphoryl]carbonyl-2,4,6-trimethylphenyl]-phenylmethanone is CCOP(=O)(C(=O)c1c(C)cc(C)c(C(=O)c2ccccc2)c1C)c1ccccc1.
What is the InChIKey of [3-[ethoxy(phenyl)phosphoryl]carbonyl-2,4,6-trimethylphenyl]-phenylmethanone?
The InChIKey is DMEKIRJYJZTAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25O4P/c1-5-29-30(28,21-14-10-7-11-15-21)25(27)23-18(3)16-17(2)22(19(23)4)24(26)20-12-8-6-9-13-20/h6-16H,5H2,1-4H3.
What are the key properties of [3-[ethoxy(phenyl)phosphoryl]carbonyl-2,4,6-trimethylphenyl]-phenylmethanone?
[3-[ethoxy(phenyl)phosphoryl]carbonyl-2,4,6-trimethylphenyl]-phenylmethanone has a molecular weight of 420.45 g/mol, XLogP of 5.62, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[ethoxy(phenyl)phosphoryl]carbonyl-2,4,6-trimethylphenyl]-phenylmethanone is sourced from PubChem (CID 118237088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).