[phenyl-(2,3,4,6-tetramethylbenzoyl)phosphanyl] 2,4,6-trimethoxybenzoate

C27H29O6P — CID 141016379

IUPAC[phenyl-(2,3,4,6-tetramethylbenzoyl)phosphanyl] 2,4,6-trimethoxybenzoate
SMILESCOc1cc(OC)c(C(=O)OP(C(=O)c2c(C)cc(C)c(C)c2C)c2ccccc2)c(OC)c1
InChIInChI=1S/C27H29O6P/c1-16-13-17(2)24(19(4)18(16)3)27(29)34(21-11-9-8-10-12-21)33-26(28)25-22(31-6)14-20(30-5)15-23(25)32-7/h8-15H,1-7H3
InChIKeyWZEAFABBILAJKN-UHFFFAOYSA-N
MW480.50 g/mol
LogP5.67
Rot. Bonds8

About [phenyl-(2,3,4,6-tetramethylbenzoyl)phosphanyl] 2,4,6-trimethoxybenzoate

[phenyl-(2,3,4,6-tetramethylbenzoyl)phosphanyl] 2,4,6-trimethoxybenzoate (PubChem CID 141016379) has the molecular formula C27H29O6P and a molecular weight of 480.50 g/mol. Its IUPAC name is [phenyl-(2,3,4,6-tetramethylbenzoyl)phosphanyl] 2,4,6-trimethoxybenzoate.

Molecular Properties

Compound Name[phenyl-(2,3,4,6-tetramethylbenzoyl)phosphanyl] 2,4,6-trimethoxybenzoate
PubChem CID141016379
Molecular FormulaC27H29O6P
Molecular Weight480.50 g/mol
Exact Mass480.17
IUPAC Name[phenyl-(2,3,4,6-tetramethylbenzoyl)phosphanyl] 2,4,6-trimethoxybenzoate
SMILESCOc1cc(OC)c(C(=O)OP(C(=O)c2c(C)cc(C)c(C)c2C)c2ccccc2)c(OC)c1
InChIInChI=1S/C27H29O6P/c1-16-13-17(2)24(19(4)18(16)3)27(29)34(21-11-9-8-10-12-21)33-26(28)25-22(31-6)14-20(30-5)15-23(25)32-7/h8-15H,1-7H3
InChIKeyWZEAFABBILAJKN-UHFFFAOYSA-N
XLogP5.67
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.50
LogP ≤ 55.67
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

[phenyl-(2,3,4,6-tetramethylbenzoyl)phosphanyl]-(2,3,4,6-tetramethylphenyl)methanone
CID 141016646
(2,6-dimethoxyphenyl)-(2,3,4,6-tetramethylphenyl)methanone
CID 172752328
bis(2,4-dimethoxy-6-methylphenyl)methanone
CID 54389353
[2-(2,6-dimethoxy-3,5-dimethylbenzoyl)phenyl]-(2,4,6-trimethoxyphenyl)methanone
CID 141015987
2-(2,4-dimethoxy-6-methylphenyl)prop-2-enoic acid
CID 116843073
1H-inden-1-yl 2,4-dimethoxy-6-methylbenzoate
CID 174707762
phenylphosphanyl-(2,4,6-trimethoxyphenyl)methanone
CID 70015637
phenyl-bis(2,4,6-trimethoxyphenyl)phosphane
CID 54206257
[2-oxo-2-(2,3,4,6-tetramethylphenyl)ethyl] 2,3,4-trimethoxybenzoate
CID 8610653
benzyl 2-(2-amino-3-phenylpropoxy)-4,6-dimethoxybenzoate;hydrochloride
CID 175481443
methyl 2,4-dimethoxy-6-phenacylbenzoate
CID 10358262
(3-methoxy-5-methyl-4-phenoxycarbonylphenyl)boronic acid
CID 133061802

Frequently Asked Questions

What is the IUPAC name of [phenyl-(2,3,4,6-tetramethylbenzoyl)phosphanyl] 2,4,6-trimethoxybenzoate?
The IUPAC name of [phenyl-(2,3,4,6-tetramethylbenzoyl)phosphanyl] 2,4,6-trimethoxybenzoate (CID 141016379) is [phenyl-(2,3,4,6-tetramethylbenzoyl)phosphanyl] 2,4,6-trimethoxybenzoate.
What is the SMILES notation for [phenyl-(2,3,4,6-tetramethylbenzoyl)phosphanyl] 2,4,6-trimethoxybenzoate?
The canonical SMILES for [phenyl-(2,3,4,6-tetramethylbenzoyl)phosphanyl] 2,4,6-trimethoxybenzoate is COc1cc(OC)c(C(=O)OP(C(=O)c2c(C)cc(C)c(C)c2C)c2ccccc2)c(OC)c1.
What is the InChIKey of [phenyl-(2,3,4,6-tetramethylbenzoyl)phosphanyl] 2,4,6-trimethoxybenzoate?
The InChIKey is WZEAFABBILAJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29O6P/c1-16-13-17(2)24(19(4)18(16)3)27(29)34(21-11-9-8-10-12-21)33-26(28)25-22(31-6)14-20(30-5)15-23(25)32-7/h8-15H,1-7H3.
What are the key properties of [phenyl-(2,3,4,6-tetramethylbenzoyl)phosphanyl] 2,4,6-trimethoxybenzoate?
[phenyl-(2,3,4,6-tetramethylbenzoyl)phosphanyl] 2,4,6-trimethoxybenzoate has a molecular weight of 480.50 g/mol, XLogP of 5.67, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [phenyl-(2,3,4,6-tetramethylbenzoyl)phosphanyl] 2,4,6-trimethoxybenzoate is sourced from PubChem (CID 141016379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).