2-(3,5-dimethylphenyl)-1-(4-methylsulfanylphenyl)ethanol

C17H20OS — CID 114980284

IUPAC2-(3,5-dimethylphenyl)-1-(4-methylsulfanylphenyl)ethanol
SMILESCSc1ccc(C(O)Cc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C17H20OS/c1-12-8-13(2)10-14(9-12)11-17(18)15-4-6-16(19-3)7-5-15/h4-10,17-18H,11H2,1-3H3
InChIKeyFUSYHFVYHFYSAO-UHFFFAOYSA-N
MW272.41 g/mol
LogP4.30
Rot. Bonds4

About 2-(3,5-dimethylphenyl)-1-(4-methylsulfanylphenyl)ethanol

2-(3,5-dimethylphenyl)-1-(4-methylsulfanylphenyl)ethanol (PubChem CID 114980284) has the molecular formula C17H20OS and a molecular weight of 272.41 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-1-(4-methylsulfanylphenyl)ethanol.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-1-(4-methylsulfanylphenyl)ethanol
PubChem CID114980284
Molecular FormulaC17H20OS
Molecular Weight272.41 g/mol
Exact Mass272.12
IUPAC Name2-(3,5-dimethylphenyl)-1-(4-methylsulfanylphenyl)ethanol
SMILESCSc1ccc(C(O)Cc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C17H20OS/c1-12-8-13(2)10-14(9-12)11-17(18)15-4-6-16(19-3)7-5-15/h4-10,17-18H,11H2,1-3H3
InChIKeyFUSYHFVYHFYSAO-UHFFFAOYSA-N
XLogP4.30
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-1-(4-methylsulfanylphenyl)ethanol?
The IUPAC name of 2-(3,5-dimethylphenyl)-1-(4-methylsulfanylphenyl)ethanol (CID 114980284) is 2-(3,5-dimethylphenyl)-1-(4-methylsulfanylphenyl)ethanol.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-1-(4-methylsulfanylphenyl)ethanol?
The canonical SMILES for 2-(3,5-dimethylphenyl)-1-(4-methylsulfanylphenyl)ethanol is CSc1ccc(C(O)Cc2cc(C)cc(C)c2)cc1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-1-(4-methylsulfanylphenyl)ethanol?
The InChIKey is FUSYHFVYHFYSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20OS/c1-12-8-13(2)10-14(9-12)11-17(18)15-4-6-16(19-3)7-5-15/h4-10,17-18H,11H2,1-3H3.
What are the key properties of 2-(3,5-dimethylphenyl)-1-(4-methylsulfanylphenyl)ethanol?
2-(3,5-dimethylphenyl)-1-(4-methylsulfanylphenyl)ethanol has a molecular weight of 272.41 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-1-(4-methylsulfanylphenyl)ethanol is sourced from PubChem (CID 114980284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).