[1-(2,6-diethoxybenzoyl)cyclohexyl]-oxo-(2,4,6-trimethoxybenzoyl)phosphanium

C27H34O8P+ — CID 173194926

IUPAC[1-(2,6-diethoxybenzoyl)cyclohexyl]-oxo-(2,4,6-trimethoxybenzoyl)phosphanium
SMILESCCOc1cccc(OCC)c1C(=O)C1([P+](=O)C(=O)c2c(OC)cc(OC)cc2OC)CCCCC1
InChIInChI=1S/C27H34O8P/c1-6-34-19-12-11-13-20(35-7-2)23(19)25(28)27(14-9-8-10-15-27)36(30)26(29)24-21(32-4)16-18(31-3)17-22(24)33-5/h11-13,16-17H,6-10,14-15H2,1-5H3/q+1
InChIKeyQNYFAKMQJMCXBP-UHFFFAOYSA-N
MW517.54 g/mol
LogP6.06
Rot. Bonds12

About [1-(2,6-diethoxybenzoyl)cyclohexyl]-oxo-(2,4,6-trimethoxybenzoyl)phosphanium

[1-(2,6-diethoxybenzoyl)cyclohexyl]-oxo-(2,4,6-trimethoxybenzoyl)phosphanium (PubChem CID 173194926) has the molecular formula C27H34O8P+ and a molecular weight of 517.54 g/mol. Its IUPAC name is [1-(2,6-diethoxybenzoyl)cyclohexyl]-oxo-(2,4,6-trimethoxybenzoyl)phosphanium.

Molecular Properties

Compound Name[1-(2,6-diethoxybenzoyl)cyclohexyl]-oxo-(2,4,6-trimethoxybenzoyl)phosphanium
PubChem CID173194926
Molecular FormulaC27H34O8P+
Molecular Weight517.54 g/mol
Exact Mass517.20
IUPAC Name[1-(2,6-diethoxybenzoyl)cyclohexyl]-oxo-(2,4,6-trimethoxybenzoyl)phosphanium
SMILESCCOc1cccc(OCC)c1C(=O)C1([P+](=O)C(=O)c2c(OC)cc(OC)cc2OC)CCCCC1
InChIInChI=1S/C27H34O8P/c1-6-34-19-12-11-13-20(35-7-2)23(19)25(28)27(14-9-8-10-15-27)36(30)26(29)24-21(32-4)16-18(31-3)17-22(24)33-5/h11-13,16-17H,6-10,14-15H2,1-5H3/q+1
InChIKeyQNYFAKMQJMCXBP-UHFFFAOYSA-N
XLogP6.06
TPSA97.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.54
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(2,6-dimethoxybenzoyl)-[1-(2,4-dimethoxybenzoyl)cyclohexyl]-oxophosphanium
CID 173194952
[1-(2,6-dichlorobenzoyl)cyclohexyl]-(2,6-dimethoxybenzoyl)-oxophosphanium
CID 173195007
[1-[2,6-bis(trifluoromethyl)benzoyl]cyclopentyl]-(2,6-dimethoxybenzoyl)-oxophosphanium
CID 173194985
butan-2-yl-[1-(2,6-dimethoxybenzoyl)cyclopentyl]-oxophosphanium
CID 173194976
(2,6-diethoxyphenyl)-[phenyl-(2,4,6-trimethoxybenzoyl)phosphoryl]methanone
CID 70012736
(2,6-dimethoxyphenyl)-(1-ethoxycyclohexyl)methanone
CID 116810109
2-(2-ethoxyphenoxy)-1-(2,4,6-trimethoxyphenyl)ethanone
CID 2105953
(2,6-dimethoxyphenyl)-(1-ethylcyclopentyl)methanone
CID 115813399
[cyclohexyl-(2,6-diethoxybenzoyl)phosphanyl]-(2,6-dimethoxyphenyl)methanone
CID 151634798
(2,6-dimethoxyphenyl)-(4-ethoxyoxan-4-yl)methanone
CID 116810111
(1-aminocyclopropyl)-(2,6-dimethoxyphenyl)methanone
CID 116811529
1-(2-ethoxy-6-methoxyphenyl)ethenol
CID 142811438

Frequently Asked Questions

What is the IUPAC name of [1-(2,6-diethoxybenzoyl)cyclohexyl]-oxo-(2,4,6-trimethoxybenzoyl)phosphanium?
The IUPAC name of [1-(2,6-diethoxybenzoyl)cyclohexyl]-oxo-(2,4,6-trimethoxybenzoyl)phosphanium (CID 173194926) is [1-(2,6-diethoxybenzoyl)cyclohexyl]-oxo-(2,4,6-trimethoxybenzoyl)phosphanium.
What is the SMILES notation for [1-(2,6-diethoxybenzoyl)cyclohexyl]-oxo-(2,4,6-trimethoxybenzoyl)phosphanium?
The canonical SMILES for [1-(2,6-diethoxybenzoyl)cyclohexyl]-oxo-(2,4,6-trimethoxybenzoyl)phosphanium is CCOc1cccc(OCC)c1C(=O)C1([P+](=O)C(=O)c2c(OC)cc(OC)cc2OC)CCCCC1.
What is the InChIKey of [1-(2,6-diethoxybenzoyl)cyclohexyl]-oxo-(2,4,6-trimethoxybenzoyl)phosphanium?
The InChIKey is QNYFAKMQJMCXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34O8P/c1-6-34-19-12-11-13-20(35-7-2)23(19)25(28)27(14-9-8-10-15-27)36(30)26(29)24-21(32-4)16-18(31-3)17-22(24)33-5/h11-13,16-17H,6-10,14-15H2,1-5H3/q+1.
What are the key properties of [1-(2,6-diethoxybenzoyl)cyclohexyl]-oxo-(2,4,6-trimethoxybenzoyl)phosphanium?
[1-(2,6-diethoxybenzoyl)cyclohexyl]-oxo-(2,4,6-trimethoxybenzoyl)phosphanium has a molecular weight of 517.54 g/mol, XLogP of 6.06, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,6-diethoxybenzoyl)cyclohexyl]-oxo-(2,4,6-trimethoxybenzoyl)phosphanium is sourced from PubChem (CID 173194926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).