2-(2-chloro-4-methylphenyl)-1-(2-methylsulfanylphenyl)ethanol

C16H17ClOS — CID 106868019

IUPAC2-(2-chloro-4-methylphenyl)-1-(2-methylsulfanylphenyl)ethanol
SMILESCSc1ccccc1C(O)Cc1ccc(C)cc1Cl
InChIInChI=1S/C16H17ClOS/c1-11-7-8-12(14(17)9-11)10-15(18)13-5-3-4-6-16(13)19-2/h3-9,15,18H,10H2,1-2H3
InChIKeyFWADCNYEHJXBQB-UHFFFAOYSA-N
MW292.83 g/mol
LogP4.65
Rot. Bonds4

About 2-(2-chloro-4-methylphenyl)-1-(2-methylsulfanylphenyl)ethanol

2-(2-chloro-4-methylphenyl)-1-(2-methylsulfanylphenyl)ethanol (PubChem CID 106868019) has the molecular formula C16H17ClOS and a molecular weight of 292.83 g/mol. Its IUPAC name is 2-(2-chloro-4-methylphenyl)-1-(2-methylsulfanylphenyl)ethanol.

Molecular Properties

Compound Name2-(2-chloro-4-methylphenyl)-1-(2-methylsulfanylphenyl)ethanol
PubChem CID106868019
Molecular FormulaC16H17ClOS
Molecular Weight292.83 g/mol
Exact Mass292.07
IUPAC Name2-(2-chloro-4-methylphenyl)-1-(2-methylsulfanylphenyl)ethanol
SMILESCSc1ccccc1C(O)Cc1ccc(C)cc1Cl
InChIInChI=1S/C16H17ClOS/c1-11-7-8-12(14(17)9-11)10-15(18)13-5-3-4-6-16(13)19-2/h3-9,15,18H,10H2,1-2H3
InChIKeyFWADCNYEHJXBQB-UHFFFAOYSA-N
XLogP4.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.83
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2-chloro-4-methylphenyl)-1-(2-methylsulfanylphenyl)ethyl]hydrazine
CID 106868542
1-(2-aminophenyl)-2-(2-chloro-4-methylphenyl)ethanol
CID 106867344
1,2-bis(2-chloro-4-methylphenyl)ethanol
CID 106868189
2-(2-chloro-4-methylphenyl)-N-ethyl-1-(2-methylsulfanylphenyl)ethanamine
CID 106866868
2-(2-chloro-4-methylphenyl)-1-(2,3-dimethylphenyl)ethanol
CID 106866259
2-(4-chloro-2-fluorophenyl)-1-(2-methylsulfanylphenyl)ethanol
CID 115839731
2-(3-chloro-4-pyridinyl)-1-(2-methylsulfanylphenyl)ethanol
CID 112655772
2-(2-chloro-4-methylphenyl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 106867292
2-(2-chloro-4-methylphenyl)-1-(5-chloro-2-methylphenyl)ethanol
CID 106868133
1-(5-bromo-2-fluorophenyl)-2-(2-chloro-4-methylphenyl)ethanol
CID 106866248
2-(2-chloro-4-methylphenyl)-1-isoquinolin-4-ylethanol
CID 106866612
2-(2-chloro-4-methylphenyl)-1-quinoxalin-5-ylethanol
CID 106868052

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylphenyl)-1-(2-methylsulfanylphenyl)ethanol?
The IUPAC name of 2-(2-chloro-4-methylphenyl)-1-(2-methylsulfanylphenyl)ethanol (CID 106868019) is 2-(2-chloro-4-methylphenyl)-1-(2-methylsulfanylphenyl)ethanol.
What is the SMILES notation for 2-(2-chloro-4-methylphenyl)-1-(2-methylsulfanylphenyl)ethanol?
The canonical SMILES for 2-(2-chloro-4-methylphenyl)-1-(2-methylsulfanylphenyl)ethanol is CSc1ccccc1C(O)Cc1ccc(C)cc1Cl.
What is the InChIKey of 2-(2-chloro-4-methylphenyl)-1-(2-methylsulfanylphenyl)ethanol?
The InChIKey is FWADCNYEHJXBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClOS/c1-11-7-8-12(14(17)9-11)10-15(18)13-5-3-4-6-16(13)19-2/h3-9,15,18H,10H2,1-2H3.
What are the key properties of 2-(2-chloro-4-methylphenyl)-1-(2-methylsulfanylphenyl)ethanol?
2-(2-chloro-4-methylphenyl)-1-(2-methylsulfanylphenyl)ethanol has a molecular weight of 292.83 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methylphenyl)-1-(2-methylsulfanylphenyl)ethanol is sourced from PubChem (CID 106868019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).