[2-chloro-6-(2-methylsulfanylphenoxy)phenyl]methanol

C14H13ClO2S — CID 63647321

IUPAC[2-chloro-6-(2-methylsulfanylphenoxy)phenyl]methanol
SMILESCSc1ccccc1Oc1cccc(Cl)c1CO
InChIInChI=1S/C14H13ClO2S/c1-18-14-8-3-2-6-13(14)17-12-7-4-5-11(15)10(12)9-16/h2-8,16H,9H2,1H3
InChIKeyZJEQSARSJOWVRK-UHFFFAOYSA-N
MW280.78 g/mol
LogP4.35
Rot. Bonds4

About [2-chloro-6-(2-methylsulfanylphenoxy)phenyl]methanol

[2-chloro-6-(2-methylsulfanylphenoxy)phenyl]methanol (PubChem CID 63647321) has the molecular formula C14H13ClO2S and a molecular weight of 280.78 g/mol. Its IUPAC name is [2-chloro-6-(2-methylsulfanylphenoxy)phenyl]methanol.

Molecular Properties

Compound Name[2-chloro-6-(2-methylsulfanylphenoxy)phenyl]methanol
PubChem CID63647321
Molecular FormulaC14H13ClO2S
Molecular Weight280.78 g/mol
Exact Mass280.03
IUPAC Name[2-chloro-6-(2-methylsulfanylphenoxy)phenyl]methanol
SMILESCSc1ccccc1Oc1cccc(Cl)c1CO
InChIInChI=1S/C14H13ClO2S/c1-18-14-8-3-2-6-13(14)17-12-7-4-5-11(15)10(12)9-16/h2-8,16H,9H2,1H3
InChIKeyZJEQSARSJOWVRK-UHFFFAOYSA-N
XLogP4.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.78
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-Chloro-6-(3,5-difluorophenoxy)phenyl]methanol
CID 62785045
[2-Chloro-6-[(3,5-difluorophenyl)methoxy]phenyl]methanol
CID 105404202
[2-Chloro-6-[2-(trifluoromethyl)phenoxy]phenyl]methanol
CID 28945976
[2-Chloro-6-(2,4-difluorophenoxy)phenyl]methanol
CID 28945980
[2-Chloro-6-(2-fluorophenoxy)phenyl]methanol
CID 28946068
[2-Chloro-6-(4-fluorophenoxy)phenyl]methanol
CID 28946100
[2-Chloro-6-(3-fluorophenoxy)phenyl]methanol
CID 28946121
[2-Chloro-6-(3,4-difluorophenoxy)phenyl]methanol
CID 43554867
(1R)-1-[2-fluoro-6-(2-methylsulfanylphenoxy)phenyl]ethanol
CID 55245776
(1S)-1-[5-fluoro-2-(2-methylsulfanylphenoxy)phenyl]ethanol
CID 55245967
[2-Chloro-6-(2,3-difluorophenoxy)phenyl]methanol
CID 63036250
[2-Chloro-6-(2,5-difluorophenoxy)phenyl]methanol
CID 63269520

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-(2-methylsulfanylphenoxy)phenyl]methanol?
The IUPAC name of [2-chloro-6-(2-methylsulfanylphenoxy)phenyl]methanol (CID 63647321) is [2-chloro-6-(2-methylsulfanylphenoxy)phenyl]methanol.
What is the SMILES notation for [2-chloro-6-(2-methylsulfanylphenoxy)phenyl]methanol?
The canonical SMILES for [2-chloro-6-(2-methylsulfanylphenoxy)phenyl]methanol is CSc1ccccc1Oc1cccc(Cl)c1CO.
What is the InChIKey of [2-chloro-6-(2-methylsulfanylphenoxy)phenyl]methanol?
The InChIKey is ZJEQSARSJOWVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClO2S/c1-18-14-8-3-2-6-13(14)17-12-7-4-5-11(15)10(12)9-16/h2-8,16H,9H2,1H3.
What are the key properties of [2-chloro-6-(2-methylsulfanylphenoxy)phenyl]methanol?
[2-chloro-6-(2-methylsulfanylphenoxy)phenyl]methanol has a molecular weight of 280.78 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-(2-methylsulfanylphenoxy)phenyl]methanol is sourced from PubChem (CID 63647321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).