1-[2-(2-chloroethoxy)ethoxy]-4-methylsulfanylbenzene

C11H15ClO2S — CID 63665656

IUPAC1-[2-(2-chloroethoxy)ethoxy]-4-methylsulfanylbenzene
SMILESCSc1ccc(OCCOCCCl)cc1
InChIInChI=1S/C11H15ClO2S/c1-15-11-4-2-10(3-5-11)14-9-8-13-7-6-12/h2-5H,6-9H2,1H3
InChIKeyLFKOJWCFSZMTRJ-UHFFFAOYSA-N
MW246.76 g/mol
LogP3.04
Rot. Bonds7

About 1-[2-(2-chloroethoxy)ethoxy]-4-methylsulfanylbenzene

1-[2-(2-chloroethoxy)ethoxy]-4-methylsulfanylbenzene (PubChem CID 63665656) has the molecular formula C11H15ClO2S and a molecular weight of 246.76 g/mol. Its IUPAC name is 1-[2-(2-chloroethoxy)ethoxy]-4-methylsulfanylbenzene.

Molecular Properties

Compound Name1-[2-(2-chloroethoxy)ethoxy]-4-methylsulfanylbenzene
PubChem CID63665656
Molecular FormulaC11H15ClO2S
Molecular Weight246.76 g/mol
Exact Mass246.05
IUPAC Name1-[2-(2-chloroethoxy)ethoxy]-4-methylsulfanylbenzene
SMILESCSc1ccc(OCCOCCCl)cc1
InChIInChI=1S/C11H15ClO2S/c1-15-11-4-2-10(3-5-11)14-9-8-13-7-6-12/h2-5H,6-9H2,1H3
InChIKeyLFKOJWCFSZMTRJ-UHFFFAOYSA-N
XLogP3.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.76
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methylsulfanyl-4-[2-(4-methylsulfanylphenoxy)ethoxy]benzene
CID 70368066
1-(2-ethoxyethoxy)-4-methylsulfanylbenzene
CID 57317041
1-tert-butyl-4-[2-(2-chloroethoxy)ethoxy]benzene
CID 63665426
4-[2-(4-methylsulfanylphenoxy)ethoxy]aniline
CID 63648995
2,6-bis[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxy]naphthalene
CID 10554662
1-methylsulfanyl-4-[4-(4-propan-2-yloxybutoxy)butoxy]benzene
CID 21434055
4-[2-(2-chloroethoxy)ethoxy]benzamide
CID 63664208
5-(4-methylsulfanylphenoxy)pentan-1-amine
CID 63649657
6-(4-methylsulfanylphenoxy)hexan-1-ol
CID 103867882
1-(6-bromohexoxy)-4-methylsulfanylbenzene
CID 18921861
3-(4-methylsulfanylphenoxy)propanal
CID 63648707
1-chloro-4-[2-(4-methylsulfanylphenyl)ethoxy]benzene
CID 142678583

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chloroethoxy)ethoxy]-4-methylsulfanylbenzene?
The IUPAC name of 1-[2-(2-chloroethoxy)ethoxy]-4-methylsulfanylbenzene (CID 63665656) is 1-[2-(2-chloroethoxy)ethoxy]-4-methylsulfanylbenzene.
What is the SMILES notation for 1-[2-(2-chloroethoxy)ethoxy]-4-methylsulfanylbenzene?
The canonical SMILES for 1-[2-(2-chloroethoxy)ethoxy]-4-methylsulfanylbenzene is CSc1ccc(OCCOCCCl)cc1.
What is the InChIKey of 1-[2-(2-chloroethoxy)ethoxy]-4-methylsulfanylbenzene?
The InChIKey is LFKOJWCFSZMTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO2S/c1-15-11-4-2-10(3-5-11)14-9-8-13-7-6-12/h2-5H,6-9H2,1H3.
What are the key properties of 1-[2-(2-chloroethoxy)ethoxy]-4-methylsulfanylbenzene?
1-[2-(2-chloroethoxy)ethoxy]-4-methylsulfanylbenzene has a molecular weight of 246.76 g/mol, XLogP of 3.04, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chloroethoxy)ethoxy]-4-methylsulfanylbenzene is sourced from PubChem (CID 63665656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).