1-(2-chlorophenyl)sulfanyl-3-ethoxyhexan-2-ol

C14H21ClO2S — CID 116732121

IUPAC1-(2-chlorophenyl)sulfanyl-3-ethoxyhexan-2-ol
SMILESCCCC(OCC)C(O)CSc1ccccc1Cl
InChIInChI=1S/C14H21ClO2S/c1-3-7-13(17-4-2)12(16)10-18-14-9-6-5-8-11(14)15/h5-6,8-9,12-13,16H,3-4,7,10H2,1-2H3
InChIKeyFEBGOLZSPWPBIW-UHFFFAOYSA-N
MW288.84 g/mol
LogP4.00
Rot. Bonds8

About 1-(2-chlorophenyl)sulfanyl-3-ethoxyhexan-2-ol

1-(2-chlorophenyl)sulfanyl-3-ethoxyhexan-2-ol (PubChem CID 116732121) has the molecular formula C14H21ClO2S and a molecular weight of 288.84 g/mol. Its IUPAC name is 1-(2-chlorophenyl)sulfanyl-3-ethoxyhexan-2-ol.

Molecular Properties

Compound Name1-(2-chlorophenyl)sulfanyl-3-ethoxyhexan-2-ol
PubChem CID116732121
Molecular FormulaC14H21ClO2S
Molecular Weight288.84 g/mol
Exact Mass288.10
IUPAC Name1-(2-chlorophenyl)sulfanyl-3-ethoxyhexan-2-ol
SMILESCCCC(OCC)C(O)CSc1ccccc1Cl
InChIInChI=1S/C14H21ClO2S/c1-3-7-13(17-4-2)12(16)10-18-14-9-6-5-8-11(14)15/h5-6,8-9,12-13,16H,3-4,7,10H2,1-2H3
InChIKeyFEBGOLZSPWPBIW-UHFFFAOYSA-N
XLogP4.00
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.84
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chlorophenyl)sulfanyl-1-cyclopropyl-1-ethoxypropan-2-ol
CID 116732119
1-(2-chlorophenyl)sulfanyl-3-methylpentan-2-ol
CID 66152395
1-(4-chlorophenyl)-2-ethoxypentan-1-ol
CID 116711364
2-(2-chlorophenyl)sulfanyl-1-(4-ethoxyoxan-4-yl)ethanol
CID 116779682
1-(2-chlorophenyl)sulfanyl-3-methoxy-3-methylpentan-2-ol
CID 116779676
3-(2-chlorophenyl)sulfanylpropane-1,2-diol
CID 78912037
2-ethoxy-1-(4-methylphenyl)pentan-1-ol
CID 116711377
1-(2-chlorophenyl)sulfanyl-5,5-dimethylhexan-2-ol
CID 114212099
(2S)-1-(2-chlorophenyl)sulfanylbutan-2-amine
CID 104932240
1-(2,5-dimethylphenyl)-3-ethoxyhexan-2-ol
CID 116711445
2-[2-(2-chlorophenyl)sulfanyl-1-hydroxyethyl]phenol
CID 66153915
1-(2-chlorophenyl)sulfanyl-3-(4-chlorophenyl)sulfanylpropan-2-ol
CID 66143233

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)sulfanyl-3-ethoxyhexan-2-ol?
The IUPAC name of 1-(2-chlorophenyl)sulfanyl-3-ethoxyhexan-2-ol (CID 116732121) is 1-(2-chlorophenyl)sulfanyl-3-ethoxyhexan-2-ol.
What is the SMILES notation for 1-(2-chlorophenyl)sulfanyl-3-ethoxyhexan-2-ol?
The canonical SMILES for 1-(2-chlorophenyl)sulfanyl-3-ethoxyhexan-2-ol is CCCC(OCC)C(O)CSc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)sulfanyl-3-ethoxyhexan-2-ol?
The InChIKey is FEBGOLZSPWPBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClO2S/c1-3-7-13(17-4-2)12(16)10-18-14-9-6-5-8-11(14)15/h5-6,8-9,12-13,16H,3-4,7,10H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)sulfanyl-3-ethoxyhexan-2-ol?
1-(2-chlorophenyl)sulfanyl-3-ethoxyhexan-2-ol has a molecular weight of 288.84 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)sulfanyl-3-ethoxyhexan-2-ol is sourced from PubChem (CID 116732121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).