1,4-dichloro-2-(2-phenylsulfanylethoxy)benzene

C14H12Cl2OS — CID 78910752

IUPAC1,4-dichloro-2-(2-phenylsulfanylethoxy)benzene
SMILESClc1ccc(Cl)c(OCCSc2ccccc2)c1
InChIInChI=1S/C14H12Cl2OS/c15-11-6-7-13(16)14(10-11)17-8-9-18-12-4-2-1-3-5-12/h1-7,10H,8-9H2
InChIKeyFGVZJOMMZCICKY-UHFFFAOYSA-N
MW299.22 g/mol
LogP5.16
Rot. Bonds5

About 1,4-dichloro-2-(2-phenylsulfanylethoxy)benzene

1,4-dichloro-2-(2-phenylsulfanylethoxy)benzene (PubChem CID 78910752) has the molecular formula C14H12Cl2OS and a molecular weight of 299.22 g/mol. Its IUPAC name is 1,4-dichloro-2-(2-phenylsulfanylethoxy)benzene.

Molecular Properties

Compound Name1,4-dichloro-2-(2-phenylsulfanylethoxy)benzene
PubChem CID78910752
Molecular FormulaC14H12Cl2OS
Molecular Weight299.22 g/mol
Exact Mass298.00
IUPAC Name1,4-dichloro-2-(2-phenylsulfanylethoxy)benzene
SMILESClc1ccc(Cl)c(OCCSc2ccccc2)c1
InChIInChI=1S/C14H12Cl2OS/c15-11-6-7-13(16)14(10-11)17-8-9-18-12-4-2-1-3-5-12/h1-7,10H,8-9H2
InChIKeyFGVZJOMMZCICKY-UHFFFAOYSA-N
XLogP5.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.22
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-(2-phenylsulfanylethoxy)aniline
CID 79211920
5-chloro-2-(2-phenylsulfanylethoxy)benzaldehyde
CID 79222426
(1S)-1-[5-chloro-2-(2-phenylsulfanylethoxy)phenyl]ethanamine
CID 79212985
1,4-dichloro-2-(4-phenylbutoxy)benzene
CID 114334883
4-(bromomethyl)-2-chloro-1-(2-phenylsulfanylethoxy)benzene
CID 79221926
1-chloro-2-(chloromethyl)-3-(2-phenylsulfanylethoxy)benzene
CID 114320786
4-chloro-2-[2-(2-chlorophenoxy)ethylsulfanyl]aniline
CID 79527874
2-bromo-4-(chloromethyl)-1-(2-phenylsulfanylethoxy)benzene
CID 79222083
N-[2-(4-chlorophenyl)sulfanylethyl]-2-(2,5-dichlorophenoxy)acetamide
CID 18266874
2-[2-(4-chlorophenyl)sulfanylethoxy]benzonitrile
CID 43213624
1-[2-(2,5-dichlorophenoxy)ethyl]-4-(2-phenylethyl)piperazine
CID 112808904
1,4-dichloro-2-[2-[(2,5-dichlorophenoxy)methyl]prop-2-enoxy]benzene
CID 154157151

Frequently Asked Questions

What is the IUPAC name of 1,4-dichloro-2-(2-phenylsulfanylethoxy)benzene?
The IUPAC name of 1,4-dichloro-2-(2-phenylsulfanylethoxy)benzene (CID 78910752) is 1,4-dichloro-2-(2-phenylsulfanylethoxy)benzene.
What is the SMILES notation for 1,4-dichloro-2-(2-phenylsulfanylethoxy)benzene?
The canonical SMILES for 1,4-dichloro-2-(2-phenylsulfanylethoxy)benzene is Clc1ccc(Cl)c(OCCSc2ccccc2)c1.
What is the InChIKey of 1,4-dichloro-2-(2-phenylsulfanylethoxy)benzene?
The InChIKey is FGVZJOMMZCICKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2OS/c15-11-6-7-13(16)14(10-11)17-8-9-18-12-4-2-1-3-5-12/h1-7,10H,8-9H2.
What are the key properties of 1,4-dichloro-2-(2-phenylsulfanylethoxy)benzene?
1,4-dichloro-2-(2-phenylsulfanylethoxy)benzene has a molecular weight of 299.22 g/mol, XLogP of 5.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dichloro-2-(2-phenylsulfanylethoxy)benzene is sourced from PubChem (CID 78910752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).