1-chloro-4-[chloro(ethyl)phosphoryl]benzene

C8H9Cl2OP — CID 13155233

IUPAC1-chloro-4-[chloro(ethyl)phosphoryl]benzene
SMILESCCP(=O)(Cl)c1ccc(Cl)cc1
InChIInChI=1S/C8H9Cl2OP/c1-2-12(10,11)8-5-3-7(9)4-6-8/h3-6H,2H2,1H3
InChIKeyJSYXDPWMESZGLY-UHFFFAOYSA-N
MW223.04 g/mol
LogP3.50
Rot. Bonds2

About 1-chloro-4-[chloro(ethyl)phosphoryl]benzene

1-chloro-4-[chloro(ethyl)phosphoryl]benzene (PubChem CID 13155233) has the molecular formula C8H9Cl2OP and a molecular weight of 223.04 g/mol. Its IUPAC name is 1-chloro-4-[chloro(ethyl)phosphoryl]benzene.

Molecular Properties

Compound Name1-chloro-4-[chloro(ethyl)phosphoryl]benzene
PubChem CID13155233
Molecular FormulaC8H9Cl2OP
Molecular Weight223.04 g/mol
Exact Mass221.98
IUPAC Name1-chloro-4-[chloro(ethyl)phosphoryl]benzene
SMILESCCP(=O)(Cl)c1ccc(Cl)cc1
InChIInChI=1S/C8H9Cl2OP/c1-2-12(10,11)8-5-3-7(9)4-6-8/h3-6H,2H2,1H3
InChIKeyJSYXDPWMESZGLY-UHFFFAOYSA-N
XLogP3.50
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.04
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[chloro(ethyl)phosphoryl]benzene?
The IUPAC name of 1-chloro-4-[chloro(ethyl)phosphoryl]benzene (CID 13155233) is 1-chloro-4-[chloro(ethyl)phosphoryl]benzene.
What is the SMILES notation for 1-chloro-4-[chloro(ethyl)phosphoryl]benzene?
The canonical SMILES for 1-chloro-4-[chloro(ethyl)phosphoryl]benzene is CCP(=O)(Cl)c1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-[chloro(ethyl)phosphoryl]benzene?
The InChIKey is JSYXDPWMESZGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2OP/c1-2-12(10,11)8-5-3-7(9)4-6-8/h3-6H,2H2,1H3.
What are the key properties of 1-chloro-4-[chloro(ethyl)phosphoryl]benzene?
1-chloro-4-[chloro(ethyl)phosphoryl]benzene has a molecular weight of 223.04 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[chloro(ethyl)phosphoryl]benzene is sourced from PubChem (CID 13155233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).