2-(5-chloro-2-methoxy-3-methylphenyl)sulfanylethanol

C10H13ClO2S — CID 116852665

IUPAC2-(5-chloro-2-methoxy-3-methylphenyl)sulfanylethanol
SMILESCOc1c(C)cc(Cl)cc1SCCO
InChIInChI=1S/C10H13ClO2S/c1-7-5-8(11)6-9(10(7)13-2)14-4-3-12/h5-6,12H,3-4H2,1-2H3
InChIKeyMKMWFWWOIVMVAB-UHFFFAOYSA-N
MW232.73 g/mol
LogP2.74
Rot. Bonds4

About 2-(5-chloro-2-methoxy-3-methylphenyl)sulfanylethanol

2-(5-chloro-2-methoxy-3-methylphenyl)sulfanylethanol (PubChem CID 116852665) has the molecular formula C10H13ClO2S and a molecular weight of 232.73 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxy-3-methylphenyl)sulfanylethanol.

Molecular Properties

Compound Name2-(5-chloro-2-methoxy-3-methylphenyl)sulfanylethanol
PubChem CID116852665
Molecular FormulaC10H13ClO2S
Molecular Weight232.73 g/mol
Exact Mass232.03
IUPAC Name2-(5-chloro-2-methoxy-3-methylphenyl)sulfanylethanol
SMILESCOc1c(C)cc(Cl)cc1SCCO
InChIInChI=1S/C10H13ClO2S/c1-7-5-8(11)6-9(10(7)13-2)14-4-3-12/h5-6,12H,3-4H2,1-2H3
InChIKeyMKMWFWWOIVMVAB-UHFFFAOYSA-N
XLogP2.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.73
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-({[5-Chloro-2-(difluoromethoxy)phenyl]methyl}sulfanyl)ethan-1-ol
CID 2344506
6-Chloro-2-ethyl-8-methylsulfanyl-2-(trifluoromethyl)chromene
CID 141097907
2-[[5-Chloro-2-(difluoromethoxy)phenyl]methylsulfanyl]phenol
CID 62000142
3-[[5-Chloro-2-(difluoromethoxy)phenyl]methylsulfanyl]-2-methylpropan-1-ol
CID 66102657
3-[[5-Chloro-2-(difluoromethoxy)phenyl]methylsulfanyl]propan-1-ol
CID 66113194
3-[[5-Chloro-2-(difluoromethoxy)phenyl]methylsulfanyl]butan-1-ol
CID 66137695
5-Chloro-2-methoxy-3-methylbenzenesulfonyl fluoride
CID 82292288
3-[[5-Chloro-2-(difluoromethoxy)phenyl]methylsulfanyl]butan-2-ol
CID 103706148
2-[[5-Chloro-2-(difluoromethoxy)phenyl]methylsulfanyl]propan-1-ol
CID 112695522
[5-Chloro-2-(difluoromethoxy)-3-methylsulfonylphenyl]methanol
CID 172416139
5-Chloro-1-(chloromethyl)-2-(difluoromethoxy)-3-methylsulfonylbenzene
CID 172416141
3-[(5-Chloro-2-methoxyphenyl)methylsulfanyl]propane-1,2-diol
CID 71862901

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxy-3-methylphenyl)sulfanylethanol?
The IUPAC name of 2-(5-chloro-2-methoxy-3-methylphenyl)sulfanylethanol (CID 116852665) is 2-(5-chloro-2-methoxy-3-methylphenyl)sulfanylethanol.
What is the SMILES notation for 2-(5-chloro-2-methoxy-3-methylphenyl)sulfanylethanol?
The canonical SMILES for 2-(5-chloro-2-methoxy-3-methylphenyl)sulfanylethanol is COc1c(C)cc(Cl)cc1SCCO.
What is the InChIKey of 2-(5-chloro-2-methoxy-3-methylphenyl)sulfanylethanol?
The InChIKey is MKMWFWWOIVMVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO2S/c1-7-5-8(11)6-9(10(7)13-2)14-4-3-12/h5-6,12H,3-4H2,1-2H3.
What are the key properties of 2-(5-chloro-2-methoxy-3-methylphenyl)sulfanylethanol?
2-(5-chloro-2-methoxy-3-methylphenyl)sulfanylethanol has a molecular weight of 232.73 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxy-3-methylphenyl)sulfanylethanol is sourced from PubChem (CID 116852665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).