1-chloro-4-(2,2-dichloroethoxy)benzene

C8H7Cl3O — CID 143327001

IUPAC1-chloro-4-(2,2-dichloroethoxy)benzene
SMILESClc1ccc(OCC(Cl)Cl)cc1
InChIInChI=1S/C8H7Cl3O/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4,8H,5H2
InChIKeyVPXPKTRUSKSEPT-UHFFFAOYSA-N
MW225.50 g/mol
LogP3.52
Rot. Bonds3

About 1-chloro-4-(2,2-dichloroethoxy)benzene

1-chloro-4-(2,2-dichloroethoxy)benzene (PubChem CID 143327001) has the molecular formula C8H7Cl3O and a molecular weight of 225.50 g/mol. Its IUPAC name is 1-chloro-4-(2,2-dichloroethoxy)benzene.

Molecular Properties

Compound Name1-chloro-4-(2,2-dichloroethoxy)benzene
PubChem CID143327001
Molecular FormulaC8H7Cl3O
Molecular Weight225.50 g/mol
Exact Mass223.96
IUPAC Name1-chloro-4-(2,2-dichloroethoxy)benzene
SMILESClc1ccc(OCC(Cl)Cl)cc1
InChIInChI=1S/C8H7Cl3O/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4,8H,5H2
InChIKeyVPXPKTRUSKSEPT-UHFFFAOYSA-N
XLogP3.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.50
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-4-[2-chloro-3-(trichloro-lambda4-tellanyl)propoxy]benzene
CID 13296254
(2S)-1-amino-3-(4-chlorophenoxy)propan-2-ol
CID 2049238
[3-(4-chlorophenoxy)-2-hydroxypropyl]-propan-2-ylazanium
CID 4751881
2-amino-3-(4-chlorophenoxy)propanenitrile
CID 55270020
(2S)-3-(4-chlorophenoxy)-2-methylpropanoic acid
CID 10353214
3-(4-chlorophenoxy)-1-N,1-N-dimethylpropane-1,2-diamine
CID 116820989
3-amino-4-(4-chlorophenoxy)butanenitrile
CID 82126783
1-(4-chlorophenoxy)-3-methoxy-N-methylpropan-2-amine
CID 105165684
methyl 3-(4-chlorophenoxy)-2-methylpropanoate
CID 43537622
1-(4-chlorophenyl)-2-(4-methylphenoxy)ethanamine
CID 82027704
methyl (2S)-2-amino-3-(4-chlorophenoxy)propanoate
CID 99737689
1-(4-chlorophenoxy)-N-methylhexan-2-amine
CID 105125626

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(2,2-dichloroethoxy)benzene?
The IUPAC name of 1-chloro-4-(2,2-dichloroethoxy)benzene (CID 143327001) is 1-chloro-4-(2,2-dichloroethoxy)benzene.
What is the SMILES notation for 1-chloro-4-(2,2-dichloroethoxy)benzene?
The canonical SMILES for 1-chloro-4-(2,2-dichloroethoxy)benzene is Clc1ccc(OCC(Cl)Cl)cc1.
What is the InChIKey of 1-chloro-4-(2,2-dichloroethoxy)benzene?
The InChIKey is VPXPKTRUSKSEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl3O/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4,8H,5H2.
What are the key properties of 1-chloro-4-(2,2-dichloroethoxy)benzene?
1-chloro-4-(2,2-dichloroethoxy)benzene has a molecular weight of 225.50 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(2,2-dichloroethoxy)benzene is sourced from PubChem (CID 143327001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).