2-[2-(3-chlorophenoxy)ethylsulfanyl]ethanol

C10H13ClO2S — CID 43416970

IUPAC2-[2-(3-chlorophenoxy)ethylsulfanyl]ethanol
SMILESOCCSCCOc1cccc(Cl)c1
InChIInChI=1S/C10H13ClO2S/c11-9-2-1-3-10(8-9)13-5-7-14-6-4-12/h1-3,8,12H,4-7H2
InChIKeyPBDLPDTUGFCHTF-UHFFFAOYSA-N
MW232.73 g/mol
LogP2.44
Rot. Bonds6

About 2-[2-(3-chlorophenoxy)ethylsulfanyl]ethanol

2-[2-(3-chlorophenoxy)ethylsulfanyl]ethanol (PubChem CID 43416970) has the molecular formula C10H13ClO2S and a molecular weight of 232.73 g/mol. Its IUPAC name is 2-[2-(3-chlorophenoxy)ethylsulfanyl]ethanol.

Molecular Properties

Compound Name2-[2-(3-chlorophenoxy)ethylsulfanyl]ethanol
PubChem CID43416970
Molecular FormulaC10H13ClO2S
Molecular Weight232.73 g/mol
Exact Mass232.03
IUPAC Name2-[2-(3-chlorophenoxy)ethylsulfanyl]ethanol
SMILESOCCSCCOc1cccc(Cl)c1
InChIInChI=1S/C10H13ClO2S/c11-9-2-1-3-10(8-9)13-5-7-14-6-4-12/h1-3,8,12H,4-7H2
InChIKeyPBDLPDTUGFCHTF-UHFFFAOYSA-N
XLogP2.44
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.73
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(3-chlorophenoxy)ethoxy]ethanol
CID 10443322
1-[2-(3-chlorophenoxy)ethylsulfanyl]propan-2-amine
CID 66219215
3-[2-(3-chlorophenoxy)ethylsulfanyl]-N-phenylpropanamide
CID 46575235
1-chloro-3-(3-phenoxypropoxy)benzene
CID 60665433
1-chloro-3-(5-chloropentoxy)benzene
CID 43348402
(2R)-2-[2-(3-chlorophenoxy)ethylsulfanyl]propanamide
CID 94192884
2-[2-(3-chlorophenoxy)ethylsulfanyl]-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone
CID 86917021
3-[2-(3-chlorophenoxy)ethoxy]benzonitrile
CID 43213521
CID 131885829
CID 131885829
3-(3-chlorophenoxy)propanamide
CID 23512799
CID 11102919
CID 11102919
2-[2-(3-chlorophenoxy)ethylsulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 51168884

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenoxy)ethylsulfanyl]ethanol?
The IUPAC name of 2-[2-(3-chlorophenoxy)ethylsulfanyl]ethanol (CID 43416970) is 2-[2-(3-chlorophenoxy)ethylsulfanyl]ethanol.
What is the SMILES notation for 2-[2-(3-chlorophenoxy)ethylsulfanyl]ethanol?
The canonical SMILES for 2-[2-(3-chlorophenoxy)ethylsulfanyl]ethanol is OCCSCCOc1cccc(Cl)c1.
What is the InChIKey of 2-[2-(3-chlorophenoxy)ethylsulfanyl]ethanol?
The InChIKey is PBDLPDTUGFCHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO2S/c11-9-2-1-3-10(8-9)13-5-7-14-6-4-12/h1-3,8,12H,4-7H2.
What are the key properties of 2-[2-(3-chlorophenoxy)ethylsulfanyl]ethanol?
2-[2-(3-chlorophenoxy)ethylsulfanyl]ethanol has a molecular weight of 232.73 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenoxy)ethylsulfanyl]ethanol is sourced from PubChem (CID 43416970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).