[1-cyclohexyl-2-(2,6-dimethoxyphenyl)-2-oxoethoxy]-ethoxy-oxophosphanium

C18H26O6P+ — CID 22183862

IUPAC[1-cyclohexyl-2-(2,6-dimethoxyphenyl)-2-oxoethoxy]-ethoxy-oxophosphanium
SMILESCCO[P+](=O)OC(C(=O)c1c(OC)cccc1OC)C1CCCCC1
InChIInChI=1S/C18H26O6P/c1-4-23-25(20)24-18(13-9-6-5-7-10-13)17(19)16-14(21-2)11-8-12-15(16)22-3/h8,11-13,18H,4-7,9-10H2,1-3H3/q+1
InChIKeyQUJPVXBVJZLXFD-UHFFFAOYSA-N
MW369.37 g/mol
LogP4.55
Rot. Bonds9

About [1-cyclohexyl-2-(2,6-dimethoxyphenyl)-2-oxoethoxy]-ethoxy-oxophosphanium

[1-cyclohexyl-2-(2,6-dimethoxyphenyl)-2-oxoethoxy]-ethoxy-oxophosphanium (PubChem CID 22183862) has the molecular formula C18H26O6P+ and a molecular weight of 369.37 g/mol. Its IUPAC name is [1-cyclohexyl-2-(2,6-dimethoxyphenyl)-2-oxoethoxy]-ethoxy-oxophosphanium.

Molecular Properties

Compound Name[1-cyclohexyl-2-(2,6-dimethoxyphenyl)-2-oxoethoxy]-ethoxy-oxophosphanium
PubChem CID22183862
Molecular FormulaC18H26O6P+
Molecular Weight369.37 g/mol
Exact Mass369.15
IUPAC Name[1-cyclohexyl-2-(2,6-dimethoxyphenyl)-2-oxoethoxy]-ethoxy-oxophosphanium
SMILESCCO[P+](=O)OC(C(=O)c1c(OC)cccc1OC)C1CCCCC1
InChIInChI=1S/C18H26O6P/c1-4-23-25(20)24-18(13-9-6-5-7-10-13)17(19)16-14(21-2)11-8-12-15(16)22-3/h8,11-13,18H,4-7,9-10H2,1-3H3/q+1
InChIKeyQUJPVXBVJZLXFD-UHFFFAOYSA-N
XLogP4.55
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 54.55
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

3-methylbutyl 2-cyclohexyl-3-(2,6-dimethoxyphenyl)-3-oxopropanoate
CID 22184019
cycloheptyl-(2,6-dimethoxyphenyl)methanone
CID 116810005
(1R,5R)-1,5-dicyclopentyl-1,5-bis(2-methoxyphenyl)pentan-3-one
CID 97304257
1,5-dicyclopentyl-1,5-bis(2-methoxyphenyl)pentan-3-one
CID 73011662
2-cyclohexyl-2-ethoxy-1-(3-ethylphenyl)ethanone
CID 116751155
[cyclohexyl-(2,6-diethoxybenzoyl)phosphanyl]-(2,6-dimethoxyphenyl)methanone
CID 151634798
1-[cyclohexyl-(2-methoxyphenyl)methyl]-2-methoxybenzene
CID 70442414
2-cyclohexyl-2-ethoxy-1-(3-propylphenyl)ethanone
CID 116751194
1-methoxyethyl 2-cyclohexyl-3-(2,6-dimethoxyphenyl)-3-oxopropaneperoxoate;oxophosphanium
CID 173194784
2-cyclohexyl-2-hydroxy-1-(2-methoxyphenyl)ethanone
CID 103457383
1-(5-chloro-2-methoxyphenyl)-2-cyclohexyl-2-methoxyethanone
CID 116750880
N-cyclohexyl-2-ethoxy-3-methoxybenzamide
CID 2988102

Frequently Asked Questions

What is the IUPAC name of [1-cyclohexyl-2-(2,6-dimethoxyphenyl)-2-oxoethoxy]-ethoxy-oxophosphanium?
The IUPAC name of [1-cyclohexyl-2-(2,6-dimethoxyphenyl)-2-oxoethoxy]-ethoxy-oxophosphanium (CID 22183862) is [1-cyclohexyl-2-(2,6-dimethoxyphenyl)-2-oxoethoxy]-ethoxy-oxophosphanium.
What is the SMILES notation for [1-cyclohexyl-2-(2,6-dimethoxyphenyl)-2-oxoethoxy]-ethoxy-oxophosphanium?
The canonical SMILES for [1-cyclohexyl-2-(2,6-dimethoxyphenyl)-2-oxoethoxy]-ethoxy-oxophosphanium is CCO[P+](=O)OC(C(=O)c1c(OC)cccc1OC)C1CCCCC1.
What is the InChIKey of [1-cyclohexyl-2-(2,6-dimethoxyphenyl)-2-oxoethoxy]-ethoxy-oxophosphanium?
The InChIKey is QUJPVXBVJZLXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O6P/c1-4-23-25(20)24-18(13-9-6-5-7-10-13)17(19)16-14(21-2)11-8-12-15(16)22-3/h8,11-13,18H,4-7,9-10H2,1-3H3/q+1.
What are the key properties of [1-cyclohexyl-2-(2,6-dimethoxyphenyl)-2-oxoethoxy]-ethoxy-oxophosphanium?
[1-cyclohexyl-2-(2,6-dimethoxyphenyl)-2-oxoethoxy]-ethoxy-oxophosphanium has a molecular weight of 369.37 g/mol, XLogP of 4.55, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-cyclohexyl-2-(2,6-dimethoxyphenyl)-2-oxoethoxy]-ethoxy-oxophosphanium is sourced from PubChem (CID 22183862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).