[2-(2-chloro-6-methoxybenzoyl)phenyl]-(2-ethylhexyl)-oxophosphanium

C22H27ClO3P+ — CID 70014987

IUPAC[2-(2-chloro-6-methoxybenzoyl)phenyl]-(2-ethylhexyl)-oxophosphanium
SMILESCCCCC(CC)C[P+](=O)c1ccccc1C(=O)c1c(Cl)cccc1OC
InChIInChI=1S/C22H27ClO3P/c1-4-6-10-16(5-2)15-27(25)20-14-8-7-11-17(20)22(24)21-18(23)12-9-13-19(21)26-3/h7-9,11-14,16H,4-6,10,15H2,1-3H3/q+1
InChIKeyFOBUXVQSWPTPBA-UHFFFAOYSA-N
MW405.88 g/mol
LogP6.25
Rot. Bonds10

About [2-(2-chloro-6-methoxybenzoyl)phenyl]-(2-ethylhexyl)-oxophosphanium

[2-(2-chloro-6-methoxybenzoyl)phenyl]-(2-ethylhexyl)-oxophosphanium (PubChem CID 70014987) has the molecular formula C22H27ClO3P+ and a molecular weight of 405.88 g/mol. Its IUPAC name is [2-(2-chloro-6-methoxybenzoyl)phenyl]-(2-ethylhexyl)-oxophosphanium.

Molecular Properties

Compound Name[2-(2-chloro-6-methoxybenzoyl)phenyl]-(2-ethylhexyl)-oxophosphanium
PubChem CID70014987
Molecular FormulaC22H27ClO3P+
Molecular Weight405.88 g/mol
Exact Mass405.14
IUPAC Name[2-(2-chloro-6-methoxybenzoyl)phenyl]-(2-ethylhexyl)-oxophosphanium
SMILESCCCCC(CC)C[P+](=O)c1ccccc1C(=O)c1c(Cl)cccc1OC
InChIInChI=1S/C22H27ClO3P/c1-4-6-10-16(5-2)15-27(25)20-14-8-7-11-17(20)22(24)21-18(23)12-9-13-19(21)26-3/h7-9,11-14,16H,4-6,10,15H2,1-3H3/q+1
InChIKeyFOBUXVQSWPTPBA-UHFFFAOYSA-N
XLogP6.25
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.88
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chloro-6-methoxyphenyl)-3-ethylheptan-1-ol
CID 104817350
bis(2-ethylhexyl) benzene-1,2-dicarboxylate;1,2-dichlorobenzene
CID 67686577
[2-(2,6-dichlorobenzoyl)phenyl]-oxo-propan-2-ylphosphanium
CID 173245703
1-(2-chlorophenyl)-2-ethylhexan-1-one
CID 114963301
(2,3-dichlorophenyl)-(2,6-dimethoxyphenyl)methanone
CID 114970477
1-(3-chloro-2-methylphenyl)-3-ethylheptan-1-one
CID 107101520
(2,6-dimethoxybenzoyl)-oxo-[2-(2,3,4,5,6-pentamethylbenzoyl)phenyl]phosphanium
CID 173244979
(2-chloro-6-methoxybenzoyl)-[2-[2-(diphenoxymethyl)benzoyl]phenyl]-oxophosphanium
CID 70014526
2-ethylhexyl 2-amino-6-chlorobenzoate
CID 63663634
pentyl 3-(2-chloro-6-methoxyphenyl)-3-oxo-2-phenylpropanoate
CID 18515021
4-O-(2-chlorophenyl) 1-O-(2-ethylhexyl) (E)-but-2-enedioate
CID 91701260
1-(2-ethylhexyl)-2-methoxybenzene
CID 160716483

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloro-6-methoxybenzoyl)phenyl]-(2-ethylhexyl)-oxophosphanium?
The IUPAC name of [2-(2-chloro-6-methoxybenzoyl)phenyl]-(2-ethylhexyl)-oxophosphanium (CID 70014987) is [2-(2-chloro-6-methoxybenzoyl)phenyl]-(2-ethylhexyl)-oxophosphanium.
What is the SMILES notation for [2-(2-chloro-6-methoxybenzoyl)phenyl]-(2-ethylhexyl)-oxophosphanium?
The canonical SMILES for [2-(2-chloro-6-methoxybenzoyl)phenyl]-(2-ethylhexyl)-oxophosphanium is CCCCC(CC)C[P+](=O)c1ccccc1C(=O)c1c(Cl)cccc1OC.
What is the InChIKey of [2-(2-chloro-6-methoxybenzoyl)phenyl]-(2-ethylhexyl)-oxophosphanium?
The InChIKey is FOBUXVQSWPTPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClO3P/c1-4-6-10-16(5-2)15-27(25)20-14-8-7-11-17(20)22(24)21-18(23)12-9-13-19(21)26-3/h7-9,11-14,16H,4-6,10,15H2,1-3H3/q+1.
What are the key properties of [2-(2-chloro-6-methoxybenzoyl)phenyl]-(2-ethylhexyl)-oxophosphanium?
[2-(2-chloro-6-methoxybenzoyl)phenyl]-(2-ethylhexyl)-oxophosphanium has a molecular weight of 405.88 g/mol, XLogP of 6.25, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloro-6-methoxybenzoyl)phenyl]-(2-ethylhexyl)-oxophosphanium is sourced from PubChem (CID 70014987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).