2-(2-chlorophenyl)ethyl-hydroxy-oxophosphanium

C8H9ClO2P+ — CID 151954716

IUPAC2-(2-chlorophenyl)ethyl-hydroxy-oxophosphanium
SMILESO=[P+](O)CCc1ccccc1Cl
InChIInChI=1S/C8H8ClO2P/c9-8-4-2-1-3-7(8)5-6-12(10)11/h1-4H,5-6H2/p+1
InChIKeyNOIOFOVUWGLHMN-UHFFFAOYSA-O
MW203.59 g/mol
LogP2.62
Rot. Bonds3

About 2-(2-chlorophenyl)ethyl-hydroxy-oxophosphanium

2-(2-chlorophenyl)ethyl-hydroxy-oxophosphanium (PubChem CID 151954716) has the molecular formula C8H9ClO2P+ and a molecular weight of 203.59 g/mol. Its IUPAC name is 2-(2-chlorophenyl)ethyl-hydroxy-oxophosphanium.

Molecular Properties

Compound Name2-(2-chlorophenyl)ethyl-hydroxy-oxophosphanium
PubChem CID151954716
Molecular FormulaC8H9ClO2P+
Molecular Weight203.59 g/mol
Exact Mass203.00
IUPAC Name2-(2-chlorophenyl)ethyl-hydroxy-oxophosphanium
SMILESO=[P+](O)CCc1ccccc1Cl
InChIInChI=1S/C8H8ClO2P/c9-8-4-2-1-3-7(8)5-6-12(10)11/h1-4H,5-6H2/p+1
InChIKeyNOIOFOVUWGLHMN-UHFFFAOYSA-O
XLogP2.62
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.59
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-2-ethylbenzene;dihydroxy(oxo)phosphanium
CID 70452209
1-chloro-2-(2-chloroethyl)benzene
CID 12587535
2-(2-chlorophenyl)ethanol;ethane
CID 142279480
azane;1-butyl-2-chlorobenzene
CID 19011342
2-[2-(2-chlorophenyl)ethyl]benzoic acid
CID 70516593
1-chloro-2-(2-phenylethyl)benzene
CID 21495838
2-(2-chlorophenyl)-N-[2-(2-chlorophenyl)ethyl]ethanamine
CID 70453735
azane;2-(2-chlorophenyl)ethanamine
CID 70087147
1-(2-chlorophenyl)-4-methylpentan-3-one
CID 43370393
sodium 4-(2-chlorophenyl)-2-oxobutanoate
CID 168859425
1-chloro-2-(3-nitropropyl)benzene
CID 57029813
16-(2-chlorophenyl)hexadecanoic acid
CID 174356057

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)ethyl-hydroxy-oxophosphanium?
The IUPAC name of 2-(2-chlorophenyl)ethyl-hydroxy-oxophosphanium (CID 151954716) is 2-(2-chlorophenyl)ethyl-hydroxy-oxophosphanium.
What is the SMILES notation for 2-(2-chlorophenyl)ethyl-hydroxy-oxophosphanium?
The canonical SMILES for 2-(2-chlorophenyl)ethyl-hydroxy-oxophosphanium is O=[P+](O)CCc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)ethyl-hydroxy-oxophosphanium?
The InChIKey is NOIOFOVUWGLHMN-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H8ClO2P/c9-8-4-2-1-3-7(8)5-6-12(10)11/h1-4H,5-6H2/p+1.
What are the key properties of 2-(2-chlorophenyl)ethyl-hydroxy-oxophosphanium?
2-(2-chlorophenyl)ethyl-hydroxy-oxophosphanium has a molecular weight of 203.59 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)ethyl-hydroxy-oxophosphanium is sourced from PubChem (CID 151954716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).