1-chloro-2-ethylbenzene;dihydroxy(oxo)phosphanium

C8H11ClO3P+ — CID 70452209

IUPAC1-chloro-2-ethylbenzene;dihydroxy(oxo)phosphanium
SMILESCCc1ccccc1Cl.O=[P+](O)O
InChIInChI=1S/C8H9Cl.HO3P/c1-2-7-5-3-4-6-8(7)9;1-4(2)3/h3-6H,2H2,1H3;(H-,1,2,3)/p+1
InChIKeyAXJJLIABADMOCD-UHFFFAOYSA-O
MW221.60 g/mol
LogP2.53
Rot. Bonds1

About 1-chloro-2-ethylbenzene;dihydroxy(oxo)phosphanium

1-chloro-2-ethylbenzene;dihydroxy(oxo)phosphanium (PubChem CID 70452209) has the molecular formula C8H11ClO3P+ and a molecular weight of 221.60 g/mol. Its IUPAC name is 1-chloro-2-ethylbenzene;dihydroxy(oxo)phosphanium.

Molecular Properties

Compound Name1-chloro-2-ethylbenzene;dihydroxy(oxo)phosphanium
PubChem CID70452209
Molecular FormulaC8H11ClO3P+
Molecular Weight221.60 g/mol
Exact Mass221.01
IUPAC Name1-chloro-2-ethylbenzene;dihydroxy(oxo)phosphanium
SMILESCCc1ccccc1Cl.O=[P+](O)O
InChIInChI=1S/C8H9Cl.HO3P/c1-2-7-5-3-4-6-8(7)9;1-4(2)3/h3-6H,2H2,1H3;(H-,1,2,3)/p+1
InChIKeyAXJJLIABADMOCD-UHFFFAOYSA-O
XLogP2.53
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.60
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-chloro-2-ethylbenzene;dihydroxy(oxo)phosphanium with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-ethylbenzene;dihydroxy(oxo)phosphanium?
The IUPAC name of 1-chloro-2-ethylbenzene;dihydroxy(oxo)phosphanium (CID 70452209) is 1-chloro-2-ethylbenzene;dihydroxy(oxo)phosphanium.
What is the SMILES notation for 1-chloro-2-ethylbenzene;dihydroxy(oxo)phosphanium?
The canonical SMILES for 1-chloro-2-ethylbenzene;dihydroxy(oxo)phosphanium is CCc1ccccc1Cl.O=[P+](O)O.
What is the InChIKey of 1-chloro-2-ethylbenzene;dihydroxy(oxo)phosphanium?
The InChIKey is AXJJLIABADMOCD-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H9Cl.HO3P/c1-2-7-5-3-4-6-8(7)9;1-4(2)3/h3-6H,2H2,1H3;(H-,1,2,3)/p+1.
What are the key properties of 1-chloro-2-ethylbenzene;dihydroxy(oxo)phosphanium?
1-chloro-2-ethylbenzene;dihydroxy(oxo)phosphanium has a molecular weight of 221.60 g/mol, XLogP of 2.53, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-ethylbenzene;dihydroxy(oxo)phosphanium is sourced from PubChem (CID 70452209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).