2-[2-(2-chlorophenyl)sulfanyl-1-hydroxyethyl]phenol

C14H13ClO2S — CID 66153915

IUPAC2-[2-(2-chlorophenyl)sulfanyl-1-hydroxyethyl]phenol
SMILESOc1ccccc1C(O)CSc1ccccc1Cl
InChIInChI=1S/C14H13ClO2S/c15-11-6-2-4-8-14(11)18-9-13(17)10-5-1-3-7-12(10)16/h1-8,13,16-17H,9H2
InChIKeyVFDQPIJEIOLDQC-UHFFFAOYSA-N
MW280.78 g/mol
LogP3.87
Rot. Bonds4

About 2-[2-(2-chlorophenyl)sulfanyl-1-hydroxyethyl]phenol

2-[2-(2-chlorophenyl)sulfanyl-1-hydroxyethyl]phenol (PubChem CID 66153915) has the molecular formula C14H13ClO2S and a molecular weight of 280.78 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)sulfanyl-1-hydroxyethyl]phenol.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)sulfanyl-1-hydroxyethyl]phenol
PubChem CID66153915
Molecular FormulaC14H13ClO2S
Molecular Weight280.78 g/mol
Exact Mass280.03
IUPAC Name2-[2-(2-chlorophenyl)sulfanyl-1-hydroxyethyl]phenol
SMILESOc1ccccc1C(O)CSc1ccccc1Cl
InChIInChI=1S/C14H13ClO2S/c15-11-6-2-4-8-14(11)18-9-13(17)10-5-1-3-7-12(10)16/h1-8,13,16-17H,9H2
InChIKeyVFDQPIJEIOLDQC-UHFFFAOYSA-N
XLogP3.87
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.78
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromophenyl)sulfanyl-1-(2-chlorophenyl)ethanol
CID 66145607
2-(2-chlorophenyl)sulfanyl-1-(5-fluoro-2-methylphenyl)ethanol
CID 66153341
1-(2-bromo-3,4-difluorophenyl)-2-(2-chlorophenyl)sulfanylethanol
CID 107540962
3-(2-chlorophenyl)sulfanylpropane-1,2-diol
CID 78912037
4-[3-(2-chlorophenyl)sulfanyl-2-hydroxypropyl]phenol
CID 66154688
2-(2-chlorophenyl)sulfanyl-1-(2,6-dimethyl-4-pyridinyl)ethanol
CID 107504561
1-(2-chlorophenyl)sulfanyl-3-(4-chlorophenyl)sulfanylpropan-2-ol
CID 66143233
2-(2-chlorophenyl)sulfanyl-1-(4-methyl-2-pyridinyl)ethanol
CID 66154495
2-(2-chlorophenyl)sulfanyl-1-(3,4-dimethoxyphenyl)ethanol
CID 60725965
1-(2-chlorophenyl)sulfanyl-3-methylpentan-2-ol
CID 66152395
(1S)-1-(2-chlorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanol
CID 95647156
2-(2-chlorophenyl)sulfanyl-1-cyclobutylethanol
CID 66153726

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)sulfanyl-1-hydroxyethyl]phenol?
The IUPAC name of 2-[2-(2-chlorophenyl)sulfanyl-1-hydroxyethyl]phenol (CID 66153915) is 2-[2-(2-chlorophenyl)sulfanyl-1-hydroxyethyl]phenol.
What is the SMILES notation for 2-[2-(2-chlorophenyl)sulfanyl-1-hydroxyethyl]phenol?
The canonical SMILES for 2-[2-(2-chlorophenyl)sulfanyl-1-hydroxyethyl]phenol is Oc1ccccc1C(O)CSc1ccccc1Cl.
What is the InChIKey of 2-[2-(2-chlorophenyl)sulfanyl-1-hydroxyethyl]phenol?
The InChIKey is VFDQPIJEIOLDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClO2S/c15-11-6-2-4-8-14(11)18-9-13(17)10-5-1-3-7-12(10)16/h1-8,13,16-17H,9H2.
What are the key properties of 2-[2-(2-chlorophenyl)sulfanyl-1-hydroxyethyl]phenol?
2-[2-(2-chlorophenyl)sulfanyl-1-hydroxyethyl]phenol has a molecular weight of 280.78 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)sulfanyl-1-hydroxyethyl]phenol is sourced from PubChem (CID 66153915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).