2-(5-chloro-2-methoxy-3-methylphenyl)sulfanyl-2-methylpropan-1-ol

C12H17ClO2S — CID 116852314

IUPAC2-(5-chloro-2-methoxy-3-methylphenyl)sulfanyl-2-methylpropan-1-ol
SMILESCOc1c(C)cc(Cl)cc1SC(C)(C)CO
InChIInChI=1S/C12H17ClO2S/c1-8-5-9(13)6-10(11(8)15-4)16-12(2,3)7-14/h5-6,14H,7H2,1-4H3
InChIKeyNPHCMHIOGUYHLP-UHFFFAOYSA-N
MW260.79 g/mol
LogP3.52
Rot. Bonds4

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

2-(5-chloro-2-methoxy-3-methylphenyl)sulfanyl-2-methylpropan-1-ol (PubChem CID 116852314) has the molecular formula C12H17ClO2S and a molecular weight of 260.79 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxy-3-methylphenyl)sulfanyl-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(5-chloro-2-methoxy-3-methylphenyl)sulfanyl-2-methylpropan-1-ol
PubChem CID116852314
Molecular FormulaC12H17ClO2S
Molecular Weight260.79 g/mol
Exact Mass260.06
IUPAC Name2-(5-chloro-2-methoxy-3-methylphenyl)sulfanyl-2-methylpropan-1-ol
SMILESCOc1c(C)cc(Cl)cc1SC(C)(C)CO
InChIInChI=1S/C12H17ClO2S/c1-8-5-9(13)6-10(11(8)15-4)16-12(2,3)7-14/h5-6,14H,7H2,1-4H3
InChIKeyNPHCMHIOGUYHLP-UHFFFAOYSA-N
XLogP3.52
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.79
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2'-Sulfanediylbis(4-chloro-6-methylphenol)
CID 23461862
5-Chloro-2-methoxy-3-methylbenzenesulfonyl fluoride
CID 82292288
[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
4-Chloro-2-(hydroxymethyl)-6-methylsulfanylphenol
CID 10932603
2-Methoxy-3-(2-chlorophenylthio)benzyl alcohol
CID 53999561
(5-Chloro-2-methoxy-3-sulfanylphenyl)methanol
CID 134260547
(3-(Benzylthio)-5-chloro-2-methoxyphenyl)methanol
CID 138675885
(3-Benzylsulfanyl-5-chloro-2-methoxyphenyl)methyl acetate
CID 138676139
(5-Chloro-3-hydroxysulfanyl-2-methoxyphenyl)methanol
CID 138718325
Methyl 5-chloro-3-(hydroxymethyl)-2-methoxybenzenesulfinate
CID 138718375

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxy-3-methylphenyl)sulfanyl-2-methylpropan-1-ol?
The IUPAC name of 2-(5-chloro-2-methoxy-3-methylphenyl)sulfanyl-2-methylpropan-1-ol (CID 116852314) is 2-(5-chloro-2-methoxy-3-methylphenyl)sulfanyl-2-methylpropan-1-ol.
What is the SMILES notation for 2-(5-chloro-2-methoxy-3-methylphenyl)sulfanyl-2-methylpropan-1-ol?
The canonical SMILES for 2-(5-chloro-2-methoxy-3-methylphenyl)sulfanyl-2-methylpropan-1-ol is COc1c(C)cc(Cl)cc1SC(C)(C)CO.
What is the InChIKey of 2-(5-chloro-2-methoxy-3-methylphenyl)sulfanyl-2-methylpropan-1-ol?
The InChIKey is NPHCMHIOGUYHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClO2S/c1-8-5-9(13)6-10(11(8)15-4)16-12(2,3)7-14/h5-6,14H,7H2,1-4H3.
What are the key properties of 2-(5-chloro-2-methoxy-3-methylphenyl)sulfanyl-2-methylpropan-1-ol?
2-(5-chloro-2-methoxy-3-methylphenyl)sulfanyl-2-methylpropan-1-ol has a molecular weight of 260.79 g/mol, XLogP of 3.52, 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)sulfanyl-2-methylpropan-1-ol is sourced from PubChem (CID 116852314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).