[(2-methoxy-6-methylbenzoyl)-(2,4,4-trimethylpentyl)phosphoryl]-(2-methoxy-6-methylphenyl)methanone

C26H35O5P — CID 164973475

IUPAC[(2-methoxy-6-methylbenzoyl)-(2,4,4-trimethylpentyl)phosphoryl]-(2-methoxy-6-methylphenyl)methanone
SMILESCOc1cccc(C)c1C(=O)P(=O)(CC(C)CC(C)(C)C)C(=O)c1c(C)cccc1OC
InChIInChI=1S/C26H35O5P/c1-17(15-26(4,5)6)16-32(29,24(27)22-18(2)11-9-13-20(22)30-7)25(28)23-19(3)12-10-14-21(23)31-8/h9-14,17H,15-16H2,1-8H3
InChIKeyAPQFJQGHFFYVKP-UHFFFAOYSA-N
MW458.54 g/mol
LogP6.74
Rot. Bonds9

About [(2-methoxy-6-methylbenzoyl)-(2,4,4-trimethylpentyl)phosphoryl]-(2-methoxy-6-methylphenyl)methanone

[(2-methoxy-6-methylbenzoyl)-(2,4,4-trimethylpentyl)phosphoryl]-(2-methoxy-6-methylphenyl)methanone (PubChem CID 164973475) has the molecular formula C26H35O5P and a molecular weight of 458.54 g/mol. Its IUPAC name is [(2-methoxy-6-methylbenzoyl)-(2,4,4-trimethylpentyl)phosphoryl]-(2-methoxy-6-methylphenyl)methanone.

Molecular Properties

Compound Name[(2-methoxy-6-methylbenzoyl)-(2,4,4-trimethylpentyl)phosphoryl]-(2-methoxy-6-methylphenyl)methanone
PubChem CID164973475
Molecular FormulaC26H35O5P
Molecular Weight458.54 g/mol
Exact Mass458.22
IUPAC Name[(2-methoxy-6-methylbenzoyl)-(2,4,4-trimethylpentyl)phosphoryl]-(2-methoxy-6-methylphenyl)methanone
SMILESCOc1cccc(C)c1C(=O)P(=O)(CC(C)CC(C)(C)C)C(=O)c1c(C)cccc1OC
InChIInChI=1S/C26H35O5P/c1-17(15-26(4,5)6)16-32(29,24(27)22-18(2)11-9-13-20(22)30-7)25(28)23-19(3)12-10-14-21(23)31-8/h9-14,17H,15-16H2,1-8H3
InChIKeyAPQFJQGHFFYVKP-UHFFFAOYSA-N
XLogP6.74
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.54
LogP ≤ 56.74
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

[(2,6-dimethoxybenzoyl)-[(2S)-2,4,4-trimethylpentyl]phosphoryl]-(2,6-dimethoxyphenyl)methanone
CID 26967458
[[2,6-bis(methylperoxy)benzoyl]-(2,4,4-trimethylpentyl)phosphoryl]-[2,6-bis(methylperoxy)phenyl]methanone
CID 141389570
[3,5-bis(2,6-dimethylbenzoyl)-2,4,4-trimethylcyclohexa-1,5-dien-1-yl]phosphonous acid;[(2,6-dimethoxybenzoyl)-(2,4,4-trimethylpentyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone
CID 175735912
[benzoyl(ethyl)phosphoryl]-phenylmethanone;[(2,6-dimethoxybenzoyl)-ethylphosphoryl]-(2,6-dimethoxyphenyl)methanone;[(2,6-dimethoxybenzoyl)-(2,4,4-trimethylpentyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone;1-[(2,6-dimethoxybenzoyl)-(2,4,4-trimethylpentyl)phosphoryl]propan-1-one;[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 161355770
(2,6-dimethoxybenzoyl) 2,6-dimethoxybenzoate;2,4,4-trimethylpentylphosphane
CID 146450949
[(2-ethoxy-6-methoxybenzoyl)-(2-methylpropyl)phosphoryl]-(2-ethoxy-6-methoxyphenyl)methanone
CID 86171400
[2-(2,6-dimethoxybenzoyl)-1-(2,6-dimethoxyphenyl)-3,5,5-trimethyl-1-oxohexan-2-yl] dihydrogen phosphate;hydrate
CID 69203582
[3,4-bis(2,6-dimethoxybenzoyl)-5-[phenyl(2,4,4-trimethylpentyl)phosphoryl]-2-(2,4,6-trimethylbenzoyl)phenyl]-(2,4,6-trimethylphenyl)methanone
CID 158246107
2-benzyl-2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one;[(2,6-dimethoxybenzoyl)-(2,4,4-trimethylpentyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone
CID 158412646
tert-butyl 2-bis(2,6-dimethoxybenzoyl)phosphorylacetate
CID 59218818
2-bis(2,6-dimethoxybenzoyl)phosphorylacetic acid
CID 66769792
tert-butyl 2-methoxy-6-methylbenzoate
CID 122173281

Frequently Asked Questions

What is the IUPAC name of [(2-methoxy-6-methylbenzoyl)-(2,4,4-trimethylpentyl)phosphoryl]-(2-methoxy-6-methylphenyl)methanone?
The IUPAC name of [(2-methoxy-6-methylbenzoyl)-(2,4,4-trimethylpentyl)phosphoryl]-(2-methoxy-6-methylphenyl)methanone (CID 164973475) is [(2-methoxy-6-methylbenzoyl)-(2,4,4-trimethylpentyl)phosphoryl]-(2-methoxy-6-methylphenyl)methanone.
What is the SMILES notation for [(2-methoxy-6-methylbenzoyl)-(2,4,4-trimethylpentyl)phosphoryl]-(2-methoxy-6-methylphenyl)methanone?
The canonical SMILES for [(2-methoxy-6-methylbenzoyl)-(2,4,4-trimethylpentyl)phosphoryl]-(2-methoxy-6-methylphenyl)methanone is COc1cccc(C)c1C(=O)P(=O)(CC(C)CC(C)(C)C)C(=O)c1c(C)cccc1OC.
What is the InChIKey of [(2-methoxy-6-methylbenzoyl)-(2,4,4-trimethylpentyl)phosphoryl]-(2-methoxy-6-methylphenyl)methanone?
The InChIKey is APQFJQGHFFYVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35O5P/c1-17(15-26(4,5)6)16-32(29,24(27)22-18(2)11-9-13-20(22)30-7)25(28)23-19(3)12-10-14-21(23)31-8/h9-14,17H,15-16H2,1-8H3.
What are the key properties of [(2-methoxy-6-methylbenzoyl)-(2,4,4-trimethylpentyl)phosphoryl]-(2-methoxy-6-methylphenyl)methanone?
[(2-methoxy-6-methylbenzoyl)-(2,4,4-trimethylpentyl)phosphoryl]-(2-methoxy-6-methylphenyl)methanone has a molecular weight of 458.54 g/mol, XLogP of 6.74, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-methoxy-6-methylbenzoyl)-(2,4,4-trimethylpentyl)phosphoryl]-(2-methoxy-6-methylphenyl)methanone is sourced from PubChem (CID 164973475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).