1-(2,4-dimethylphenyl)-2-(4-methylphenyl)sulfanylethanol

C17H20OS — CID 66064203

IUPAC1-(2,4-dimethylphenyl)-2-(4-methylphenyl)sulfanylethanol
SMILESCc1ccc(SCC(O)c2ccc(C)cc2C)cc1
InChIInChI=1S/C17H20OS/c1-12-4-7-15(8-5-12)19-11-17(18)16-9-6-13(2)10-14(16)3/h4-10,17-18H,11H2,1-3H3
InChIKeyGSBJLDVDIIZDLH-UHFFFAOYSA-N
MW272.41 g/mol
LogP4.44
Rot. Bonds4

About 1-(2,4-dimethylphenyl)-2-(4-methylphenyl)sulfanylethanol

1-(2,4-dimethylphenyl)-2-(4-methylphenyl)sulfanylethanol (PubChem CID 66064203) has the molecular formula C17H20OS and a molecular weight of 272.41 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-2-(4-methylphenyl)sulfanylethanol.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-2-(4-methylphenyl)sulfanylethanol
PubChem CID66064203
Molecular FormulaC17H20OS
Molecular Weight272.41 g/mol
Exact Mass272.12
IUPAC Name1-(2,4-dimethylphenyl)-2-(4-methylphenyl)sulfanylethanol
SMILESCc1ccc(SCC(O)c2ccc(C)cc2C)cc1
InChIInChI=1S/C17H20OS/c1-12-4-7-15(8-5-12)19-11-17(18)16-9-6-13(2)10-14(16)3/h4-10,17-18H,11H2,1-3H3
InChIKeyGSBJLDVDIIZDLH-UHFFFAOYSA-N
XLogP4.44
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 ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-2-(4-methylphenyl)sulfanylethanol?
The IUPAC name of 1-(2,4-dimethylphenyl)-2-(4-methylphenyl)sulfanylethanol (CID 66064203) is 1-(2,4-dimethylphenyl)-2-(4-methylphenyl)sulfanylethanol.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-2-(4-methylphenyl)sulfanylethanol?
The canonical SMILES for 1-(2,4-dimethylphenyl)-2-(4-methylphenyl)sulfanylethanol is Cc1ccc(SCC(O)c2ccc(C)cc2C)cc1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-2-(4-methylphenyl)sulfanylethanol?
The InChIKey is GSBJLDVDIIZDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20OS/c1-12-4-7-15(8-5-12)19-11-17(18)16-9-6-13(2)10-14(16)3/h4-10,17-18H,11H2,1-3H3.
What are the key properties of 1-(2,4-dimethylphenyl)-2-(4-methylphenyl)sulfanylethanol?
1-(2,4-dimethylphenyl)-2-(4-methylphenyl)sulfanylethanol has a molecular weight of 272.41 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-2-(4-methylphenyl)sulfanylethanol is sourced from PubChem (CID 66064203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).