2-(5-chloro-2-methoxy-3-methylphenyl)sulfanylpropan-1-ol

C11H15ClO2S — CID 116852544

IUPAC2-(5-chloro-2-methoxy-3-methylphenyl)sulfanylpropan-1-ol
SMILESCOc1c(C)cc(Cl)cc1SC(C)CO
InChIInChI=1S/C11H15ClO2S/c1-7-4-9(12)5-10(11(7)14-3)15-8(2)6-13/h4-5,8,13H,6H2,1-3H3
InChIKeyMPGVKAFIKCCIGO-UHFFFAOYSA-N
MW246.76 g/mol
LogP3.13
Rot. Bonds4

About 2-(5-chloro-2-methoxy-3-methylphenyl)sulfanylpropan-1-ol

2-(5-chloro-2-methoxy-3-methylphenyl)sulfanylpropan-1-ol (PubChem CID 116852544) has the molecular formula C11H15ClO2S and a molecular weight of 246.76 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxy-3-methylphenyl)sulfanylpropan-1-ol.

Molecular Properties

Compound Name2-(5-chloro-2-methoxy-3-methylphenyl)sulfanylpropan-1-ol
PubChem CID116852544
Molecular FormulaC11H15ClO2S
Molecular Weight246.76 g/mol
Exact Mass246.05
IUPAC Name2-(5-chloro-2-methoxy-3-methylphenyl)sulfanylpropan-1-ol
SMILESCOc1c(C)cc(Cl)cc1SC(C)CO
InChIInChI=1S/C11H15ClO2S/c1-7-4-9(12)5-10(11(7)14-3)15-8(2)6-13/h4-5,8,13H,6H2,1-3H3
InChIKeyMPGVKAFIKCCIGO-UHFFFAOYSA-N
XLogP3.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.76
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2'-Sulfanediylbis(4-chloro-6-methylphenol)
CID 23461862
2-({[5-Chloro-2-(difluoromethoxy)phenyl]methyl}sulfanyl)ethan-1-ol
CID 2344506
2-[[5-Chloro-2-(difluoromethoxy)phenyl]methylsulfanyl]phenol
CID 62000142
1-(5-Chloro-2-methoxyphenyl)-2-(2-fluorophenyl)sulfanylethanol
CID 66053249
1-(5-Chloro-2-methoxyphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol
CID 66053443
1-(5-Chloro-2-methoxyphenyl)-2-(4-fluorophenyl)sulfanylethanol
CID 66071578
1-(5-Chloro-2-methoxyphenyl)-2-(3-fluorophenyl)sulfanylethanol
CID 66071640
1-(5-Chloro-2-methoxyphenyl)-3-(4-fluorophenyl)sulfanylpropan-2-ol
CID 66071784
1-(5-Chloro-2-methoxyphenyl)-3-(3-fluorophenyl)sulfanylpropan-2-ol
CID 66071845
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

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxy-3-methylphenyl)sulfanylpropan-1-ol?
The IUPAC name of 2-(5-chloro-2-methoxy-3-methylphenyl)sulfanylpropan-1-ol (CID 116852544) is 2-(5-chloro-2-methoxy-3-methylphenyl)sulfanylpropan-1-ol.
What is the SMILES notation for 2-(5-chloro-2-methoxy-3-methylphenyl)sulfanylpropan-1-ol?
The canonical SMILES for 2-(5-chloro-2-methoxy-3-methylphenyl)sulfanylpropan-1-ol is COc1c(C)cc(Cl)cc1SC(C)CO.
What is the InChIKey of 2-(5-chloro-2-methoxy-3-methylphenyl)sulfanylpropan-1-ol?
The InChIKey is MPGVKAFIKCCIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO2S/c1-7-4-9(12)5-10(11(7)14-3)15-8(2)6-13/h4-5,8,13H,6H2,1-3H3.
What are the key properties of 2-(5-chloro-2-methoxy-3-methylphenyl)sulfanylpropan-1-ol?
2-(5-chloro-2-methoxy-3-methylphenyl)sulfanylpropan-1-ol has a molecular weight of 246.76 g/mol, XLogP of 3.13, 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)sulfanylpropan-1-ol is sourced from PubChem (CID 116852544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).