4-[3-(2-chlorophenyl)sulfanyl-2-hydroxypropyl]phenol

C15H15ClO2S — CID 66154688

IUPAC4-[3-(2-chlorophenyl)sulfanyl-2-hydroxypropyl]phenol
SMILESOc1ccc(CC(O)CSc2ccccc2Cl)cc1
InChIInChI=1S/C15H15ClO2S/c16-14-3-1-2-4-15(14)19-10-13(18)9-11-5-7-12(17)8-6-11/h1-8,13,17-18H,9-10H2
InChIKeyLRGGKJSSLAPVRG-UHFFFAOYSA-N
MW294.80 g/mol
LogP3.74
Rot. Bonds5

About 4-[3-(2-chlorophenyl)sulfanyl-2-hydroxypropyl]phenol

4-[3-(2-chlorophenyl)sulfanyl-2-hydroxypropyl]phenol (PubChem CID 66154688) has the molecular formula C15H15ClO2S and a molecular weight of 294.80 g/mol. Its IUPAC name is 4-[3-(2-chlorophenyl)sulfanyl-2-hydroxypropyl]phenol.

Molecular Properties

Compound Name4-[3-(2-chlorophenyl)sulfanyl-2-hydroxypropyl]phenol
PubChem CID66154688
Molecular FormulaC15H15ClO2S
Molecular Weight294.80 g/mol
Exact Mass294.05
IUPAC Name4-[3-(2-chlorophenyl)sulfanyl-2-hydroxypropyl]phenol
SMILESOc1ccc(CC(O)CSc2ccccc2Cl)cc1
InChIInChI=1S/C15H15ClO2S/c16-14-3-1-2-4-15(14)19-10-13(18)9-11-5-7-12(17)8-6-11/h1-8,13,17-18H,9-10H2
InChIKeyLRGGKJSSLAPVRG-UHFFFAOYSA-N
XLogP3.74
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.80
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)sulfanyl-3-(3,4-dimethylphenyl)propan-2-ol
CID 66153728
3-(2-chlorophenyl)sulfanylpropane-1,2-diol
CID 78912037
2-[2-(2-chlorophenyl)sulfanyl-1-hydroxyethyl]phenol
CID 66153915
1-(2-chlorophenyl)sulfanyl-3-(4-chlorophenyl)sulfanylpropan-2-ol
CID 66143233
1-(2,6-dichlorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol
CID 66097992
1-(2-chlorophenyl)sulfanyl-5,5-dimethylhexan-2-ol
CID 114212099
1-(4-ethylphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol
CID 66051511
1-(2-bromophenyl)sulfanyl-3-(4-iodophenyl)propan-2-ol
CID 66143470
1-(3,4-dimethylphenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol
CID 66096318
1-[bis(4-chlorophenyl)methylsulfanyl]-3-phenylpropan-2-ol
CID 22049852
1-(4-chlorophenyl)sulfanyl-3-(4-methylphenyl)propan-2-ol
CID 66145326
1-(4-aminophenoxy)-3-(2-chlorophenyl)sulfanylpropan-2-ol
CID 62268474

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-chlorophenyl)sulfanyl-2-hydroxypropyl]phenol?
The IUPAC name of 4-[3-(2-chlorophenyl)sulfanyl-2-hydroxypropyl]phenol (CID 66154688) is 4-[3-(2-chlorophenyl)sulfanyl-2-hydroxypropyl]phenol.
What is the SMILES notation for 4-[3-(2-chlorophenyl)sulfanyl-2-hydroxypropyl]phenol?
The canonical SMILES for 4-[3-(2-chlorophenyl)sulfanyl-2-hydroxypropyl]phenol is Oc1ccc(CC(O)CSc2ccccc2Cl)cc1.
What is the InChIKey of 4-[3-(2-chlorophenyl)sulfanyl-2-hydroxypropyl]phenol?
The InChIKey is LRGGKJSSLAPVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClO2S/c16-14-3-1-2-4-15(14)19-10-13(18)9-11-5-7-12(17)8-6-11/h1-8,13,17-18H,9-10H2.
What are the key properties of 4-[3-(2-chlorophenyl)sulfanyl-2-hydroxypropyl]phenol?
4-[3-(2-chlorophenyl)sulfanyl-2-hydroxypropyl]phenol has a molecular weight of 294.80 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-chlorophenyl)sulfanyl-2-hydroxypropyl]phenol is sourced from PubChem (CID 66154688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).