[2-(2,6-dichlorobenzoyl)phenyl]-oxo-propan-2-ylphosphanium

C16H14Cl2O2P+ — CID 173245703

IUPAC[2-(2,6-dichlorobenzoyl)phenyl]-oxo-propan-2-ylphosphanium
SMILESCC(C)[P+](=O)c1ccccc1C(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C16H14Cl2O2P/c1-10(2)21(20)14-9-4-3-6-11(14)16(19)15-12(17)7-5-8-13(15)18/h3-10H,1-2H3/q+1
InChIKeyBBSOZUHWVAUOTM-UHFFFAOYSA-N
MW340.17 g/mol
LogP5.09
Rot. Bonds4

About [2-(2,6-dichlorobenzoyl)phenyl]-oxo-propan-2-ylphosphanium

[2-(2,6-dichlorobenzoyl)phenyl]-oxo-propan-2-ylphosphanium (PubChem CID 173245703) has the molecular formula C16H14Cl2O2P+ and a molecular weight of 340.17 g/mol. Its IUPAC name is [2-(2,6-dichlorobenzoyl)phenyl]-oxo-propan-2-ylphosphanium.

Molecular Properties

Compound Name[2-(2,6-dichlorobenzoyl)phenyl]-oxo-propan-2-ylphosphanium
PubChem CID173245703
Molecular FormulaC16H14Cl2O2P+
Molecular Weight340.17 g/mol
Exact Mass339.01
IUPAC Name[2-(2,6-dichlorobenzoyl)phenyl]-oxo-propan-2-ylphosphanium
SMILESCC(C)[P+](=O)c1ccccc1C(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C16H14Cl2O2P/c1-10(2)21(20)14-9-4-3-6-11(14)16(19)15-12(17)7-5-8-13(15)18/h3-10H,1-2H3/q+1
InChIKeyBBSOZUHWVAUOTM-UHFFFAOYSA-N
XLogP5.09
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.17
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-benzoylphenyl)-oxo-propan-2-ylphosphanium
CID 175014357
(2,6-dichlorobenzoyl)-oxo-[2-(2,3,4,5,6-pentamethylbenzoyl)phenyl]phosphanium
CID 173245773
(2,6-dichlorophenyl)-(2-fluorophenyl)methanone
CID 13127035
[2-(2-chloro-6-methoxybenzoyl)phenyl]-(2-ethylhexyl)-oxophosphanium
CID 70014987
(2-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 43159787
(2-chloro-6-methoxybenzoyl)-[2-[2-(diphenoxymethyl)benzoyl]phenyl]-oxophosphanium
CID 70014526
(2,6-dichlorophenyl)-(2,4-dimethoxy-5-propan-2-ylphenyl)methanone
CID 68971573
2-chloro-1-(2-chlorophenyl)propan-1-one
CID 12808115
1-(2-chlorophenyl)-2-hydroxypropan-1-one
CID 11830112
(2,3-dichlorophenyl)-(2,6-dimethoxyphenyl)methanone
CID 114970477
3-chlorophthalic acid;phthalic acid
CID 174649164
(2,6-dimethoxybenzoyl)-oxo-[2-(2,3,4,5,6-pentamethylbenzoyl)phenyl]phosphanium
CID 173244979

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dichlorobenzoyl)phenyl]-oxo-propan-2-ylphosphanium?
The IUPAC name of [2-(2,6-dichlorobenzoyl)phenyl]-oxo-propan-2-ylphosphanium (CID 173245703) is [2-(2,6-dichlorobenzoyl)phenyl]-oxo-propan-2-ylphosphanium.
What is the SMILES notation for [2-(2,6-dichlorobenzoyl)phenyl]-oxo-propan-2-ylphosphanium?
The canonical SMILES for [2-(2,6-dichlorobenzoyl)phenyl]-oxo-propan-2-ylphosphanium is CC(C)[P+](=O)c1ccccc1C(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of [2-(2,6-dichlorobenzoyl)phenyl]-oxo-propan-2-ylphosphanium?
The InChIKey is BBSOZUHWVAUOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2O2P/c1-10(2)21(20)14-9-4-3-6-11(14)16(19)15-12(17)7-5-8-13(15)18/h3-10H,1-2H3/q+1.
What are the key properties of [2-(2,6-dichlorobenzoyl)phenyl]-oxo-propan-2-ylphosphanium?
[2-(2,6-dichlorobenzoyl)phenyl]-oxo-propan-2-ylphosphanium has a molecular weight of 340.17 g/mol, XLogP of 5.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dichlorobenzoyl)phenyl]-oxo-propan-2-ylphosphanium is sourced from PubChem (CID 173245703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).