[cyclohexyl-(2,6-dimethoxybenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone

C25H31O5P — CID 22183265

IUPAC[cyclohexyl-(2,6-dimethoxybenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
SMILESCOc1cccc(OC)c1C(=O)P(=O)(C(=O)c1c(C)cc(C)cc1C)C1CCCCC1
InChIInChI=1S/C25H31O5P/c1-16-14-17(2)22(18(3)15-16)24(26)31(28,19-10-7-6-8-11-19)25(27)23-20(29-4)12-9-13-21(23)30-5/h9,12-15,19H,6-8,10-11H2,1-5H3
InChIKeyUBFZZVMUWPMOKV-UHFFFAOYSA-N
MW442.49 g/mol
LogP6.31
Rot. Bonds7

About [cyclohexyl-(2,6-dimethoxybenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone

[cyclohexyl-(2,6-dimethoxybenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone (PubChem CID 22183265) has the molecular formula C25H31O5P and a molecular weight of 442.49 g/mol. Its IUPAC name is [cyclohexyl-(2,6-dimethoxybenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone.

Molecular Properties

Compound Name[cyclohexyl-(2,6-dimethoxybenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
PubChem CID22183265
Molecular FormulaC25H31O5P
Molecular Weight442.49 g/mol
Exact Mass442.19
IUPAC Name[cyclohexyl-(2,6-dimethoxybenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
SMILESCOc1cccc(OC)c1C(=O)P(=O)(C(=O)c1c(C)cc(C)cc1C)C1CCCCC1
InChIInChI=1S/C25H31O5P/c1-16-14-17(2)22(18(3)15-16)24(26)31(28,19-10-7-6-8-11-19)25(27)23-20(29-4)12-9-13-21(23)30-5/h9,12-15,19H,6-8,10-11H2,1-5H3
InChIKeyUBFZZVMUWPMOKV-UHFFFAOYSA-N
XLogP6.31
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.49
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[cyclopentyl-(2,4,6-trimethoxybenzoyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone
CID 22183526
[tert-butyl(cyclohexyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone
CID 22183998
(4-tert-butyl-2,6-dimethylphenyl)-[cyclohexyl-(2,6-dichlorobenzoyl)phosphoryl]methanone
CID 22183971
[cyclohexyl(hexyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone
CID 22183286
2-cyclohexyl-2-hydroxy-1-(2-methoxy-4,6-dimethylphenyl)ethanone
CID 106680136
[2-bis(2,4,6-trimethylbenzoyl)phosphorylphenyl]-(2,6-dimethoxyphenyl)methanone
CID 158862858
tert-butyl 2-[cyclohexyl-(2,4,6-trimethylbenzoyl)phosphoryl]acetate
CID 174400565
2-cycloheptyl-1-(2-methoxy-4,6-dimethylphenyl)ethanone
CID 106682017
cycloheptyl-(2,6-dimethoxyphenyl)methanone
CID 116810005
[ethyl-(2,4,6-trimethoxybenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 22183748
cyclopropyl-(2-methoxy-4,6-dimethylphenyl)methanone
CID 82491880
1-[cyclohexyl(methyl)phosphoryl]-2-methoxybenzene
CID 12892172

Frequently Asked Questions

What is the IUPAC name of [cyclohexyl-(2,6-dimethoxybenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone?
The IUPAC name of [cyclohexyl-(2,6-dimethoxybenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone (CID 22183265) is [cyclohexyl-(2,6-dimethoxybenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone.
What is the SMILES notation for [cyclohexyl-(2,6-dimethoxybenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone?
The canonical SMILES for [cyclohexyl-(2,6-dimethoxybenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone is COc1cccc(OC)c1C(=O)P(=O)(C(=O)c1c(C)cc(C)cc1C)C1CCCCC1.
What is the InChIKey of [cyclohexyl-(2,6-dimethoxybenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone?
The InChIKey is UBFZZVMUWPMOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31O5P/c1-16-14-17(2)22(18(3)15-16)24(26)31(28,19-10-7-6-8-11-19)25(27)23-20(29-4)12-9-13-21(23)30-5/h9,12-15,19H,6-8,10-11H2,1-5H3.
What are the key properties of [cyclohexyl-(2,6-dimethoxybenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone?
[cyclohexyl-(2,6-dimethoxybenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone has a molecular weight of 442.49 g/mol, XLogP of 6.31, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclohexyl-(2,6-dimethoxybenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone is sourced from PubChem (CID 22183265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).