[(2,6-dimethoxybenzoyl)-[(2S)-2,4,4-trimethylpentyl]phosphoryl]-(2,6-dimethoxyphenyl)methanone

C26H35O7P — CID 26967458

IUPAC[(2,6-dimethoxybenzoyl)-[(2S)-2,4,4-trimethylpentyl]phosphoryl]-(2,6-dimethoxyphenyl)methanone
SMILESCOc1cccc(OC)c1C(=O)P(=O)(C[C@@H](C)CC(C)(C)C)C(=O)c1c(OC)cccc1OC
InChIInChI=1S/C26H35O7P/c1-17(15-26(2,3)4)16-34(29,24(27)22-18(30-5)11-9-12-19(22)31-6)25(28)23-20(32-7)13-10-14-21(23)33-8/h9-14,17H,15-16H2,1-8H3/t17-/m0/s1
InChIKeyLFOXEOLGJPJZAA-KRWDZBQOSA-N
MW490.53 g/mol
LogP6.14
Rot. Bonds11

About [(2,6-dimethoxybenzoyl)-[(2S)-2,4,4-trimethylpentyl]phosphoryl]-(2,6-dimethoxyphenyl)methanone

[(2,6-dimethoxybenzoyl)-[(2S)-2,4,4-trimethylpentyl]phosphoryl]-(2,6-dimethoxyphenyl)methanone (PubChem CID 26967458) has the molecular formula C26H35O7P and a molecular weight of 490.53 g/mol. Its IUPAC name is [(2,6-dimethoxybenzoyl)-[(2S)-2,4,4-trimethylpentyl]phosphoryl]-(2,6-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name[(2,6-dimethoxybenzoyl)-[(2S)-2,4,4-trimethylpentyl]phosphoryl]-(2,6-dimethoxyphenyl)methanone
PubChem CID26967458
Molecular FormulaC26H35O7P
Molecular Weight490.53 g/mol
Exact Mass490.21
IUPAC Name[(2,6-dimethoxybenzoyl)-[(2S)-2,4,4-trimethylpentyl]phosphoryl]-(2,6-dimethoxyphenyl)methanone
SMILESCOc1cccc(OC)c1C(=O)P(=O)(C[C@@H](C)CC(C)(C)C)C(=O)c1c(OC)cccc1OC
InChIInChI=1S/C26H35O7P/c1-17(15-26(2,3)4)16-34(29,24(27)22-18(30-5)11-9-12-19(22)31-6)25(28)23-20(32-7)13-10-14-21(23)33-8/h9-14,17H,15-16H2,1-8H3/t17-/m0/s1
InChIKeyLFOXEOLGJPJZAA-KRWDZBQOSA-N
XLogP6.14
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.53
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[(2-methoxy-6-methylbenzoyl)-(2,4,4-trimethylpentyl)phosphoryl]-(2-methoxy-6-methylphenyl)methanone
CID 164973475
[[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
[(2-ethoxy-6-methoxybenzoyl)-(2-methylpropyl)phosphoryl]-(2-ethoxy-6-methoxyphenyl)methanone
CID 86171400
[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-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
[2-(2,6-dimethoxybenzoyl)-1-(2,6-dimethoxyphenyl)-3,5,5-trimethyl-1-oxohexan-2-yl] dihydrogen phosphate;hydrate
CID 69203582
[(2,6-dimethoxybenzoyl)-(6-methylheptyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone
CID 18783616
[2,6-bis(trifluoromethyl)phenyl]-[2-methylpropyl-(2,4,6-trimethoxybenzoyl)phosphoryl]methanone
CID 22183706

Frequently Asked Questions

What is the IUPAC name of [(2,6-dimethoxybenzoyl)-[(2S)-2,4,4-trimethylpentyl]phosphoryl]-(2,6-dimethoxyphenyl)methanone?
The IUPAC name of [(2,6-dimethoxybenzoyl)-[(2S)-2,4,4-trimethylpentyl]phosphoryl]-(2,6-dimethoxyphenyl)methanone (CID 26967458) is [(2,6-dimethoxybenzoyl)-[(2S)-2,4,4-trimethylpentyl]phosphoryl]-(2,6-dimethoxyphenyl)methanone.
What is the SMILES notation for [(2,6-dimethoxybenzoyl)-[(2S)-2,4,4-trimethylpentyl]phosphoryl]-(2,6-dimethoxyphenyl)methanone?
The canonical SMILES for [(2,6-dimethoxybenzoyl)-[(2S)-2,4,4-trimethylpentyl]phosphoryl]-(2,6-dimethoxyphenyl)methanone is COc1cccc(OC)c1C(=O)P(=O)(C[C@@H](C)CC(C)(C)C)C(=O)c1c(OC)cccc1OC.
What is the InChIKey of [(2,6-dimethoxybenzoyl)-[(2S)-2,4,4-trimethylpentyl]phosphoryl]-(2,6-dimethoxyphenyl)methanone?
The InChIKey is LFOXEOLGJPJZAA-KRWDZBQOSA-N. The full InChI is InChI=1S/C26H35O7P/c1-17(15-26(2,3)4)16-34(29,24(27)22-18(30-5)11-9-12-19(22)31-6)25(28)23-20(32-7)13-10-14-21(23)33-8/h9-14,17H,15-16H2,1-8H3/t17-/m0/s1.
What are the key properties of [(2,6-dimethoxybenzoyl)-[(2S)-2,4,4-trimethylpentyl]phosphoryl]-(2,6-dimethoxyphenyl)methanone?
[(2,6-dimethoxybenzoyl)-[(2S)-2,4,4-trimethylpentyl]phosphoryl]-(2,6-dimethoxyphenyl)methanone has a molecular weight of 490.53 g/mol, XLogP of 6.14, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,6-dimethoxybenzoyl)-[(2S)-2,4,4-trimethylpentyl]phosphoryl]-(2,6-dimethoxyphenyl)methanone is sourced from PubChem (CID 26967458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).