(4-tert-butyl-2,6-dimethylbenzoyl)-[1-(2,4-dimethoxybenzoyl)cyclopentyl]-oxophosphanium

C27H34O5P+ — CID 173195008

IUPAC(4-tert-butyl-2,6-dimethylbenzoyl)-[1-(2,4-dimethoxybenzoyl)cyclopentyl]-oxophosphanium
SMILESCOc1ccc(C(=O)C2([P+](=O)C(=O)c3c(C)cc(C(C)(C)C)cc3C)CCCC2)c(OC)c1
InChIInChI=1S/C27H34O5P/c1-17-14-19(26(3,4)5)15-18(2)23(17)25(29)33(30)27(12-8-9-13-27)24(28)21-11-10-20(31-6)16-22(21)32-7/h10-11,14-16H,8-9,12-13H2,1-7H3/q+1
InChIKeyRUKOEFSIDRDXLC-UHFFFAOYSA-N
MW469.54 g/mol
LogP6.78
Rot. Bonds7

About (4-tert-butyl-2,6-dimethylbenzoyl)-[1-(2,4-dimethoxybenzoyl)cyclopentyl]-oxophosphanium

(4-tert-butyl-2,6-dimethylbenzoyl)-[1-(2,4-dimethoxybenzoyl)cyclopentyl]-oxophosphanium (PubChem CID 173195008) has the molecular formula C27H34O5P+ and a molecular weight of 469.54 g/mol. Its IUPAC name is (4-tert-butyl-2,6-dimethylbenzoyl)-[1-(2,4-dimethoxybenzoyl)cyclopentyl]-oxophosphanium.

Molecular Properties

Compound Name(4-tert-butyl-2,6-dimethylbenzoyl)-[1-(2,4-dimethoxybenzoyl)cyclopentyl]-oxophosphanium
PubChem CID173195008
Molecular FormulaC27H34O5P+
Molecular Weight469.54 g/mol
Exact Mass469.21
IUPAC Name(4-tert-butyl-2,6-dimethylbenzoyl)-[1-(2,4-dimethoxybenzoyl)cyclopentyl]-oxophosphanium
SMILESCOc1ccc(C(=O)C2([P+](=O)C(=O)c3c(C)cc(C(C)(C)C)cc3C)CCCC2)c(OC)c1
InChIInChI=1S/C27H34O5P/c1-17-14-19(26(3,4)5)15-18(2)23(17)25(29)33(30)27(12-8-9-13-27)24(28)21-11-10-20(31-6)16-22(21)32-7/h10-11,14-16H,8-9,12-13H2,1-7H3/q+1
InChIKeyRUKOEFSIDRDXLC-UHFFFAOYSA-N
XLogP6.78
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.54
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (4-tert-butyl-2,6-dimethylbenzoyl)-[1-(2,4-dimethoxybenzoyl)cyclopentyl]-oxophosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,6-dimethoxybenzoyl)-[1-(2,4-dimethoxybenzoyl)cyclohexyl]-oxophosphanium
CID 173194952
(2,4-dimethoxyphenyl)-[1-(dimethylamino)cyclopentyl]methanone
CID 79067768
[1-(2,6-dichlorobenzoyl)cyclohexyl]-(2,6-dimethoxybenzoyl)-oxophosphanium
CID 173195007
(2,4-dimethoxyphenyl)-(1-methoxycycloheptyl)methanone
CID 116750527
[1-(2,6-diethoxybenzoyl)cyclohexyl]-oxo-(2,4,6-trimethoxybenzoyl)phosphanium
CID 173194926
[1-[2,6-bis(trifluoromethyl)benzoyl]cyclopentyl]-(2,6-dimethoxybenzoyl)-oxophosphanium
CID 173194985
CID 70014312
CID 70014312
2-(1-aminocyclopentyl)-1-(2,4-dimethoxyphenyl)ethanone
CID 116578600
2,4-dimethoxybenzoic acid
CID 7052
2,4-dimethoxybenzoic acid
CID 67450326
tert-butyl 2,4-dimethoxybenzoate
CID 63897355
N'-(4-tert-butylbenzoyl)-2,4-dimethoxybenzohydrazide
CID 7980035

Frequently Asked Questions

What is the IUPAC name of (4-tert-butyl-2,6-dimethylbenzoyl)-[1-(2,4-dimethoxybenzoyl)cyclopentyl]-oxophosphanium?
The IUPAC name of (4-tert-butyl-2,6-dimethylbenzoyl)-[1-(2,4-dimethoxybenzoyl)cyclopentyl]-oxophosphanium (CID 173195008) is (4-tert-butyl-2,6-dimethylbenzoyl)-[1-(2,4-dimethoxybenzoyl)cyclopentyl]-oxophosphanium.
What is the SMILES notation for (4-tert-butyl-2,6-dimethylbenzoyl)-[1-(2,4-dimethoxybenzoyl)cyclopentyl]-oxophosphanium?
The canonical SMILES for (4-tert-butyl-2,6-dimethylbenzoyl)-[1-(2,4-dimethoxybenzoyl)cyclopentyl]-oxophosphanium is COc1ccc(C(=O)C2([P+](=O)C(=O)c3c(C)cc(C(C)(C)C)cc3C)CCCC2)c(OC)c1.
What is the InChIKey of (4-tert-butyl-2,6-dimethylbenzoyl)-[1-(2,4-dimethoxybenzoyl)cyclopentyl]-oxophosphanium?
The InChIKey is RUKOEFSIDRDXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34O5P/c1-17-14-19(26(3,4)5)15-18(2)23(17)25(29)33(30)27(12-8-9-13-27)24(28)21-11-10-20(31-6)16-22(21)32-7/h10-11,14-16H,8-9,12-13H2,1-7H3/q+1.
What are the key properties of (4-tert-butyl-2,6-dimethylbenzoyl)-[1-(2,4-dimethoxybenzoyl)cyclopentyl]-oxophosphanium?
(4-tert-butyl-2,6-dimethylbenzoyl)-[1-(2,4-dimethoxybenzoyl)cyclopentyl]-oxophosphanium has a molecular weight of 469.54 g/mol, XLogP of 6.78, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butyl-2,6-dimethylbenzoyl)-[1-(2,4-dimethoxybenzoyl)cyclopentyl]-oxophosphanium is sourced from PubChem (CID 173195008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).