[butan-2-yl-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4-dimethoxyphenyl)methanone

C23H29O5P — CID 22183668

IUPAC[butan-2-yl-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4-dimethoxyphenyl)methanone
SMILESCCC(C)P(=O)(C(=O)c1ccc(OC)cc1OC)C(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C23H29O5P/c1-8-17(5)29(26,23(25)21-15(3)11-14(2)12-16(21)4)22(24)19-10-9-18(27-6)13-20(19)28-7/h9-13,17H,8H2,1-7H3
InChIKeyOIISLZFWVLGAKQ-UHFFFAOYSA-N
MW416.45 g/mol
LogP5.77
Rot. Bonds8

About [butan-2-yl-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4-dimethoxyphenyl)methanone

[butan-2-yl-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4-dimethoxyphenyl)methanone (PubChem CID 22183668) has the molecular formula C23H29O5P and a molecular weight of 416.45 g/mol. Its IUPAC name is [butan-2-yl-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name[butan-2-yl-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4-dimethoxyphenyl)methanone
PubChem CID22183668
Molecular FormulaC23H29O5P
Molecular Weight416.45 g/mol
Exact Mass416.18
IUPAC Name[butan-2-yl-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4-dimethoxyphenyl)methanone
SMILESCCC(C)P(=O)(C(=O)c1ccc(OC)cc1OC)C(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C23H29O5P/c1-8-17(5)29(26,23(25)21-15(3)11-14(2)12-16(21)4)22(24)19-10-9-18(27-6)13-20(19)28-7/h9-13,17H,8H2,1-7H3
InChIKeyOIISLZFWVLGAKQ-UHFFFAOYSA-N
XLogP5.77
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.45
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [butan-2-yl-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4-dimethoxyphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[butan-2-yl-(2,4,6-trimethoxybenzoyl)phosphoryl]-(2,6-dimethylphenyl)methanone
CID 22183560
[butan-2-yl-(2-methoxybenzoyl)phosphoryl]-(2-methoxyphenyl)methanone
CID 21217250
[ethyl-(2,4,6-trimethoxybenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 22183748
1-(2,4-dimethoxyphenyl)-2-ethylbutan-1-one
CID 114971207
2-[(2,4-dimethoxybenzoyl)amino]butanoic acid
CID 43387212
1-(4-methoxy-2-methylphenyl)-2-methylbutan-1-one
CID 65313346
1-(2,4-dimethoxyphenyl)-2-ethyl-2-hydroxybutan-1-one
CID 103446903
2-amino-1-(4-methoxy-2-methylphenyl)-3-methylpentan-1-one
CID 116552805
2,4-dimethoxy-N'-(2-methylbenzoyl)benzohydrazide
CID 793888
[2-[[(2S,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 2,4-dimethoxybenzoate
CID 9203537
N-(1-aminobutan-2-yl)-2,4-dimethoxybenzamide
CID 63755359
N-(2-aminobutyl)-2,4-dimethoxybenzamide
CID 63731362

Frequently Asked Questions

What is the IUPAC name of [butan-2-yl-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4-dimethoxyphenyl)methanone?
The IUPAC name of [butan-2-yl-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4-dimethoxyphenyl)methanone (CID 22183668) is [butan-2-yl-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4-dimethoxyphenyl)methanone.
What is the SMILES notation for [butan-2-yl-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4-dimethoxyphenyl)methanone?
The canonical SMILES for [butan-2-yl-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4-dimethoxyphenyl)methanone is CCC(C)P(=O)(C(=O)c1ccc(OC)cc1OC)C(=O)c1c(C)cc(C)cc1C.
What is the InChIKey of [butan-2-yl-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4-dimethoxyphenyl)methanone?
The InChIKey is OIISLZFWVLGAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29O5P/c1-8-17(5)29(26,23(25)21-15(3)11-14(2)12-16(21)4)22(24)19-10-9-18(27-6)13-20(19)28-7/h9-13,17H,8H2,1-7H3.
What are the key properties of [butan-2-yl-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4-dimethoxyphenyl)methanone?
[butan-2-yl-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4-dimethoxyphenyl)methanone has a molecular weight of 416.45 g/mol, XLogP of 5.77, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [butan-2-yl-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4-dimethoxyphenyl)methanone is sourced from PubChem (CID 22183668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).