[butan-2-yl-(2,4,6-trimethoxybenzoyl)phosphoryl]-(2,6-dimethylphenyl)methanone

C23H29O6P — CID 22183560

IUPAC[butan-2-yl-(2,4,6-trimethoxybenzoyl)phosphoryl]-(2,6-dimethylphenyl)methanone
SMILESCCC(C)P(=O)(C(=O)c1c(C)cccc1C)C(=O)c1c(OC)cc(OC)cc1OC
InChIInChI=1S/C23H29O6P/c1-8-16(4)30(26,22(24)20-14(2)10-9-11-15(20)3)23(25)21-18(28-6)12-17(27-5)13-19(21)29-7/h9-13,16H,8H2,1-7H3
InChIKeyGSCHJEYVKVUJAB-UHFFFAOYSA-N
MW432.45 g/mol
LogP5.47
Rot. Bonds9

About [butan-2-yl-(2,4,6-trimethoxybenzoyl)phosphoryl]-(2,6-dimethylphenyl)methanone

[butan-2-yl-(2,4,6-trimethoxybenzoyl)phosphoryl]-(2,6-dimethylphenyl)methanone (PubChem CID 22183560) has the molecular formula C23H29O6P and a molecular weight of 432.45 g/mol. Its IUPAC name is [butan-2-yl-(2,4,6-trimethoxybenzoyl)phosphoryl]-(2,6-dimethylphenyl)methanone.

Molecular Properties

Compound Name[butan-2-yl-(2,4,6-trimethoxybenzoyl)phosphoryl]-(2,6-dimethylphenyl)methanone
PubChem CID22183560
Molecular FormulaC23H29O6P
Molecular Weight432.45 g/mol
Exact Mass432.17
IUPAC Name[butan-2-yl-(2,4,6-trimethoxybenzoyl)phosphoryl]-(2,6-dimethylphenyl)methanone
SMILESCCC(C)P(=O)(C(=O)c1c(C)cccc1C)C(=O)c1c(OC)cc(OC)cc1OC
InChIInChI=1S/C23H29O6P/c1-8-16(4)30(26,22(24)20-14(2)10-9-11-15(20)3)23(25)21-18(28-6)12-17(27-5)13-19(21)29-7/h9-13,16H,8H2,1-7H3
InChIKeyGSCHJEYVKVUJAB-UHFFFAOYSA-N
XLogP5.47
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.45
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[butan-2-yl-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4-dimethoxyphenyl)methanone
CID 22183668
[ethyl-(2,4,6-trimethoxybenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 22183748
[butan-2-yl-(2-methoxybenzoyl)phosphoryl]-(2-methoxyphenyl)methanone
CID 21217250
N-butan-2-yl-2,4,6-trimethoxybenzamide
CID 110764612
[2,6-bis(trifluoromethyl)phenyl]-[2-methylpropyl-(2,4,6-trimethoxybenzoyl)phosphoryl]methanone
CID 22183706
(2,6-diethoxyphenyl)-[phenyl-(2,4,6-trimethoxybenzoyl)phosphoryl]methanone
CID 70012736
[cyclopentyl-(2,4,6-trimethoxybenzoyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone
CID 22183526
[pentyl(phenyl)phosphoryl]-(2,4,6-trimethoxyphenyl)methanone
CID 18514103
bis(2,4-dimethoxy-6-methylphenyl)methanone
CID 54389353
[(2-methoxy-6-methylbenzoyl)-(2,4,4-trimethylpentyl)phosphoryl]-(2-methoxy-6-methylphenyl)methanone
CID 164973475
2-(2,4-dimethoxy-6-methylbenzoyl)butanenitrile
CID 116923746
bis(2,6-dimethoxybenzoyl)phosphinothioyl-(2,6-dimethoxyphenyl)methanone
CID 54513060

Frequently Asked Questions

What is the IUPAC name of [butan-2-yl-(2,4,6-trimethoxybenzoyl)phosphoryl]-(2,6-dimethylphenyl)methanone?
The IUPAC name of [butan-2-yl-(2,4,6-trimethoxybenzoyl)phosphoryl]-(2,6-dimethylphenyl)methanone (CID 22183560) is [butan-2-yl-(2,4,6-trimethoxybenzoyl)phosphoryl]-(2,6-dimethylphenyl)methanone.
What is the SMILES notation for [butan-2-yl-(2,4,6-trimethoxybenzoyl)phosphoryl]-(2,6-dimethylphenyl)methanone?
The canonical SMILES for [butan-2-yl-(2,4,6-trimethoxybenzoyl)phosphoryl]-(2,6-dimethylphenyl)methanone is CCC(C)P(=O)(C(=O)c1c(C)cccc1C)C(=O)c1c(OC)cc(OC)cc1OC.
What is the InChIKey of [butan-2-yl-(2,4,6-trimethoxybenzoyl)phosphoryl]-(2,6-dimethylphenyl)methanone?
The InChIKey is GSCHJEYVKVUJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29O6P/c1-8-16(4)30(26,22(24)20-14(2)10-9-11-15(20)3)23(25)21-18(28-6)12-17(27-5)13-19(21)29-7/h9-13,16H,8H2,1-7H3.
What are the key properties of [butan-2-yl-(2,4,6-trimethoxybenzoyl)phosphoryl]-(2,6-dimethylphenyl)methanone?
[butan-2-yl-(2,4,6-trimethoxybenzoyl)phosphoryl]-(2,6-dimethylphenyl)methanone has a molecular weight of 432.45 g/mol, XLogP of 5.47, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [butan-2-yl-(2,4,6-trimethoxybenzoyl)phosphoryl]-(2,6-dimethylphenyl)methanone is sourced from PubChem (CID 22183560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).