hydroxy-oxo-(2-phenylethyl)phosphanium;hydrochloride

C8H11ClO2P+ — CID 70471484

IUPAChydroxy-oxo-(2-phenylethyl)phosphanium;hydrochloride
SMILESCl.O=[P+](O)CCc1ccccc1
InChIInChI=1S/C8H9O2P.ClH/c9-11(10)7-6-8-4-2-1-3-5-8;/h1-5H,6-7H2;1H/p+1
InChIKeyUQGHDIHEPRZLGW-UHFFFAOYSA-O
MW205.60 g/mol
LogP2.39
Rot. Bonds3

About hydroxy-oxo-(2-phenylethyl)phosphanium;hydrochloride

hydroxy-oxo-(2-phenylethyl)phosphanium;hydrochloride (PubChem CID 70471484) has the molecular formula C8H11ClO2P+ and a molecular weight of 205.60 g/mol. Its IUPAC name is hydroxy-oxo-(2-phenylethyl)phosphanium;hydrochloride.

Molecular Properties

Compound Namehydroxy-oxo-(2-phenylethyl)phosphanium;hydrochloride
PubChem CID70471484
Molecular FormulaC8H11ClO2P+
Molecular Weight205.60 g/mol
Exact Mass205.02
IUPAC Namehydroxy-oxo-(2-phenylethyl)phosphanium;hydrochloride
SMILESCl.O=[P+](O)CCc1ccccc1
InChIInChI=1S/C8H9O2P.ClH/c9-11(10)7-6-8-4-2-1-3-5-8;/h1-5H,6-7H2;1H/p+1
InChIKeyUQGHDIHEPRZLGW-UHFFFAOYSA-O
XLogP2.39
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.60
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze hydroxy-oxo-(2-phenylethyl)phosphanium;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

hafnium;2-phenylethylbenzene
CID 173109801
2-(2-chlorophenyl)ethyl-hydroxy-oxophosphanium
CID 151954716
methyl-oxo-phenylmethoxyphosphanium
CID 20566646
benzene;2-phenylethylbenzene
CID 18982764
hafnium;4-phenylbutylbenzene
CID 175889972
dihydroxy(oxo)phosphanium;oxo-bis(phenylmethoxy)phosphanium
CID 159366011
1,3-diphenylpropan-2-yl-hydroxy-oxophosphanium
CID 151391700
dioxido(oxo)phosphanium;bis(2-phenylethylazanium)
CID 160857650
butylbenzene;carbonic acid
CID 158278492
formaldehyde;2-phenylethanol
CID 143785167
hydroxy-oxo-[3-(phenylmethoxycarbonylamino)propyl]phosphanium
CID 19090886
(2-amino-3-phenylpropyl)-hydroxy-oxophosphanium
CID 15591254

Frequently Asked Questions

What is the IUPAC name of hydroxy-oxo-(2-phenylethyl)phosphanium;hydrochloride?
The IUPAC name of hydroxy-oxo-(2-phenylethyl)phosphanium;hydrochloride (CID 70471484) is hydroxy-oxo-(2-phenylethyl)phosphanium;hydrochloride.
What is the SMILES notation for hydroxy-oxo-(2-phenylethyl)phosphanium;hydrochloride?
The canonical SMILES for hydroxy-oxo-(2-phenylethyl)phosphanium;hydrochloride is Cl.O=[P+](O)CCc1ccccc1.
What is the InChIKey of hydroxy-oxo-(2-phenylethyl)phosphanium;hydrochloride?
The InChIKey is UQGHDIHEPRZLGW-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H9O2P.ClH/c9-11(10)7-6-8-4-2-1-3-5-8;/h1-5H,6-7H2;1H/p+1.
What are the key properties of hydroxy-oxo-(2-phenylethyl)phosphanium;hydrochloride?
hydroxy-oxo-(2-phenylethyl)phosphanium;hydrochloride has a molecular weight of 205.60 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-oxo-(2-phenylethyl)phosphanium;hydrochloride is sourced from PubChem (CID 70471484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).