1-(5-chloro-2-methoxy-4-methylphenyl)-3-methylsulfanylpropan-1-ol

C12H17ClO2S — CID 116831112

IUPAC1-(5-chloro-2-methoxy-4-methylphenyl)-3-methylsulfanylpropan-1-ol
SMILESCOc1cc(C)c(Cl)cc1C(O)CCSC
InChIInChI=1S/C12H17ClO2S/c1-8-6-12(15-2)9(7-10(8)13)11(14)4-5-16-3/h6-7,11,14H,4-5H2,1-3H3
InChIKeyOVZGXQBMRGWKPP-UHFFFAOYSA-N
MW260.79 g/mol
LogP3.44
Rot. Bonds5

About 1-(5-chloro-2-methoxy-4-methylphenyl)-3-methylsulfanylpropan-1-ol

1-(5-chloro-2-methoxy-4-methylphenyl)-3-methylsulfanylpropan-1-ol (PubChem CID 116831112) has the molecular formula C12H17ClO2S and a molecular weight of 260.79 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxy-4-methylphenyl)-3-methylsulfanylpropan-1-ol.

Molecular Properties

Compound Name1-(5-chloro-2-methoxy-4-methylphenyl)-3-methylsulfanylpropan-1-ol
PubChem CID116831112
Molecular FormulaC12H17ClO2S
Molecular Weight260.79 g/mol
Exact Mass260.06
IUPAC Name1-(5-chloro-2-methoxy-4-methylphenyl)-3-methylsulfanylpropan-1-ol
SMILESCOc1cc(C)c(Cl)cc1C(O)CCSC
InChIInChI=1S/C12H17ClO2S/c1-8-6-12(15-2)9(7-10(8)13)11(14)4-5-16-3/h6-7,11,14H,4-5H2,1-3H3
InChIKeyOVZGXQBMRGWKPP-UHFFFAOYSA-N
XLogP3.44
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.79
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-1-(5-chloro-2-methoxy-4-methylphenyl)ethanol
CID 116863542
1-(5-chloro-2-methoxy-4-methylphenyl)ethanol
CID 82265131
1-(2-chloro-5-fluoro-4-methylphenyl)-3-methylsulfanylpropan-1-ol
CID 116831182
3-amino-2-(5-chloro-2-methoxy-4-methylphenyl)propan-1-ol
CID 82288669
amino-(5-chloro-2-methoxy-4-methylphenyl)methanethiol
CID 116939471
1-amino-4-(5-chloro-2-methoxy-4-methylphenyl)pentan-2-ol
CID 83937557
(1R)-1-(5-chloro-2-methoxy-4-methylphenyl)ethane-1,2-diamine
CID 66517766
1-(4-chloro-2-methoxy-5-methylphenyl)-3-piperazin-1-ylpropan-1-ol
CID 82551176
1-(5-chloro-2-methoxy-4-methylphenyl)butane-1,4-diamine
CID 116933715
1-(5-chloro-4-methoxy-2-methylphenyl)-2-sulfanylethanol
CID 116829994
(1-aminocyclopropyl)-(5-chloro-2-methoxy-4-methylphenyl)methanol
CID 116836167
2-[1-(5-chloro-2-methoxy-4-methylphenyl)ethyl]propane-1,3-diamine
CID 83937480

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxy-4-methylphenyl)-3-methylsulfanylpropan-1-ol?
The IUPAC name of 1-(5-chloro-2-methoxy-4-methylphenyl)-3-methylsulfanylpropan-1-ol (CID 116831112) is 1-(5-chloro-2-methoxy-4-methylphenyl)-3-methylsulfanylpropan-1-ol.
What is the SMILES notation for 1-(5-chloro-2-methoxy-4-methylphenyl)-3-methylsulfanylpropan-1-ol?
The canonical SMILES for 1-(5-chloro-2-methoxy-4-methylphenyl)-3-methylsulfanylpropan-1-ol is COc1cc(C)c(Cl)cc1C(O)CCSC.
What is the InChIKey of 1-(5-chloro-2-methoxy-4-methylphenyl)-3-methylsulfanylpropan-1-ol?
The InChIKey is OVZGXQBMRGWKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClO2S/c1-8-6-12(15-2)9(7-10(8)13)11(14)4-5-16-3/h6-7,11,14H,4-5H2,1-3H3.
What are the key properties of 1-(5-chloro-2-methoxy-4-methylphenyl)-3-methylsulfanylpropan-1-ol?
1-(5-chloro-2-methoxy-4-methylphenyl)-3-methylsulfanylpropan-1-ol has a molecular weight of 260.79 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxy-4-methylphenyl)-3-methylsulfanylpropan-1-ol is sourced from PubChem (CID 116831112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).