[2-bis(2,4,6-trimethylbenzoyl)phosphorylphenyl]-(2,6-dimethoxyphenyl)methanone

C35H35O6P — CID 158862858

IUPAC[2-bis(2,4,6-trimethylbenzoyl)phosphorylphenyl]-(2,6-dimethoxyphenyl)methanone
SMILESCOc1cccc(OC)c1C(=O)c1ccccc1P(=O)(C(=O)c1c(C)cc(C)cc1C)C(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C35H35O6P/c1-20-16-22(3)30(23(4)17-20)34(37)42(39,35(38)31-24(5)18-21(2)19-25(31)6)29-15-10-9-12-26(29)33(36)32-27(40-7)13-11-14-28(32)41-8/h9-19H,1-8H3
InChIKeyJAWAEYQKKPOLAT-UHFFFAOYSA-N
MW582.63 g/mol
LogP7.45
Rot. Bonds9

About [2-bis(2,4,6-trimethylbenzoyl)phosphorylphenyl]-(2,6-dimethoxyphenyl)methanone

[2-bis(2,4,6-trimethylbenzoyl)phosphorylphenyl]-(2,6-dimethoxyphenyl)methanone (PubChem CID 158862858) has the molecular formula C35H35O6P and a molecular weight of 582.63 g/mol. Its IUPAC name is [2-bis(2,4,6-trimethylbenzoyl)phosphorylphenyl]-(2,6-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name[2-bis(2,4,6-trimethylbenzoyl)phosphorylphenyl]-(2,6-dimethoxyphenyl)methanone
PubChem CID158862858
Molecular FormulaC35H35O6P
Molecular Weight582.63 g/mol
Exact Mass582.22
IUPAC Name[2-bis(2,4,6-trimethylbenzoyl)phosphorylphenyl]-(2,6-dimethoxyphenyl)methanone
SMILESCOc1cccc(OC)c1C(=O)c1ccccc1P(=O)(C(=O)c1c(C)cc(C)cc1C)C(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C35H35O6P/c1-20-16-22(3)30(23(4)17-20)34(37)42(39,35(38)31-24(5)18-21(2)19-25(31)6)29-15-10-9-12-26(29)33(36)32-27(40-7)13-11-14-28(32)41-8/h9-19H,1-8H3
InChIKeyJAWAEYQKKPOLAT-UHFFFAOYSA-N
XLogP7.45
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.63
LogP ≤ 57.45
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

(2,6-dimethoxyphenyl)-(2,4,5-trimethylphenyl)methanone
CID 112698836
[2-(2,6-dimethoxybenzoyl)phenyl]-oxo-(2,4,6-trimethylbenzoyl)phosphanium
CID 173244334
(2,6-dimethoxybenzoyl)-oxo-[2-(2,4,6-trimethylbenzoyl)phenyl]phosphanium
CID 173245685
[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]-[2-[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]carbonylphenyl]methanone
CID 21343895
(2,6-dimethylphenyl)-(2-methoxyphenyl)methanone
CID 24722767
[cyclohexyl-(2,6-dimethoxybenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 22183265
methyl 2-(2,6-dimethoxybenzoyl)benzoate
CID 71397959
(2-methoxy-4,6-dimethylphenyl)-(2-methoxy-5-methylphenyl)methanone
CID 106681983
[(3-bromo-2,6-dimethoxyphenyl)-(2,4,6-trimethylbenzoyl)phosphoryl]-phenylmethanone
CID 70013466
ethyl [2-(2,4,6-trimethylbenzoyl)phenyl] hydrogen phosphate
CID 69347540
(2-chloro-6-methoxyphenyl)-[(2,6-dimethoxy-4-methylbenzoyl)-phenylphosphoryl]methanone
CID 70015697
[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

Frequently Asked Questions

What is the IUPAC name of [2-bis(2,4,6-trimethylbenzoyl)phosphorylphenyl]-(2,6-dimethoxyphenyl)methanone?
The IUPAC name of [2-bis(2,4,6-trimethylbenzoyl)phosphorylphenyl]-(2,6-dimethoxyphenyl)methanone (CID 158862858) is [2-bis(2,4,6-trimethylbenzoyl)phosphorylphenyl]-(2,6-dimethoxyphenyl)methanone.
What is the SMILES notation for [2-bis(2,4,6-trimethylbenzoyl)phosphorylphenyl]-(2,6-dimethoxyphenyl)methanone?
The canonical SMILES for [2-bis(2,4,6-trimethylbenzoyl)phosphorylphenyl]-(2,6-dimethoxyphenyl)methanone is COc1cccc(OC)c1C(=O)c1ccccc1P(=O)(C(=O)c1c(C)cc(C)cc1C)C(=O)c1c(C)cc(C)cc1C.
What is the InChIKey of [2-bis(2,4,6-trimethylbenzoyl)phosphorylphenyl]-(2,6-dimethoxyphenyl)methanone?
The InChIKey is JAWAEYQKKPOLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35O6P/c1-20-16-22(3)30(23(4)17-20)34(37)42(39,35(38)31-24(5)18-21(2)19-25(31)6)29-15-10-9-12-26(29)33(36)32-27(40-7)13-11-14-28(32)41-8/h9-19H,1-8H3.
What are the key properties of [2-bis(2,4,6-trimethylbenzoyl)phosphorylphenyl]-(2,6-dimethoxyphenyl)methanone?
[2-bis(2,4,6-trimethylbenzoyl)phosphorylphenyl]-(2,6-dimethoxyphenyl)methanone has a molecular weight of 582.63 g/mol, XLogP of 7.45, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bis(2,4,6-trimethylbenzoyl)phosphorylphenyl]-(2,6-dimethoxyphenyl)methanone is sourced from PubChem (CID 158862858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).