1-(3,5-dimethylphenyl)-3-(4-methylphenyl)sulfanylpropan-2-ol

C18H22OS — CID 66064590

IUPAC1-(3,5-dimethylphenyl)-3-(4-methylphenyl)sulfanylpropan-2-ol
SMILESCc1ccc(SCC(O)Cc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C18H22OS/c1-13-4-6-18(7-5-13)20-12-17(19)11-16-9-14(2)8-15(3)10-16/h4-10,17,19H,11-12H2,1-3H3
InChIKeyGXICKCRKONHVMS-UHFFFAOYSA-N
MW286.44 g/mol
LogP4.31
Rot. Bonds5

About 1-(3,5-dimethylphenyl)-3-(4-methylphenyl)sulfanylpropan-2-ol

1-(3,5-dimethylphenyl)-3-(4-methylphenyl)sulfanylpropan-2-ol (PubChem CID 66064590) has the molecular formula C18H22OS and a molecular weight of 286.44 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-3-(4-methylphenyl)sulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-3-(4-methylphenyl)sulfanylpropan-2-ol
PubChem CID66064590
Molecular FormulaC18H22OS
Molecular Weight286.44 g/mol
Exact Mass286.14
IUPAC Name1-(3,5-dimethylphenyl)-3-(4-methylphenyl)sulfanylpropan-2-ol
SMILESCc1ccc(SCC(O)Cc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C18H22OS/c1-13-4-6-18(7-5-13)20-12-17(19)11-16-9-14(2)8-15(3)10-16/h4-10,17,19H,11-12H2,1-3H3
InChIKeyGXICKCRKONHVMS-UHFFFAOYSA-N
XLogP4.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)sulfanyl-3-(3,5-dimethylphenyl)propan-2-ol
CID 66143568
1-(3-methylphenyl)-3-(4-methylphenyl)sulfanylpropan-2-ol
CID 66065371
1-(4-methylphenyl)sulfanyl-3-phenylpropan-2-ol
CID 60722243
1-(4-chlorophenyl)sulfanyl-3-(4-methylphenyl)propan-2-ol
CID 66145326
1-(2-chloro-4-methylphenyl)-3-(4-methylphenyl)sulfanylpropan-2-ol
CID 106867406
1,3-bis(3,5-dimethylphenyl)propan-2-ol
CID 63411020
1-(1-ethylpyrazol-4-yl)-3-(4-methylphenyl)sulfanylpropan-2-ol
CID 66066757
(2S)-3-methyl-1-(4-methylphenyl)sulfanylbutan-2-ol
CID 11401570
4-ethyl-1-(4-methylphenyl)sulfanylhexan-2-ol
CID 82920228
1-(4-bromophenyl)sulfanyl-3-(2,4,6-trimethylphenyl)propan-2-ol
CID 66056671
2-(3,5-dimethylphenyl)-1-(4-methylsulfanylphenyl)ethanol
CID 114980284
1-(5-chlorothiophen-2-yl)-3-(4-methylphenyl)sulfanylpropan-2-ol
CID 66065578

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-3-(4-methylphenyl)sulfanylpropan-2-ol?
The IUPAC name of 1-(3,5-dimethylphenyl)-3-(4-methylphenyl)sulfanylpropan-2-ol (CID 66064590) is 1-(3,5-dimethylphenyl)-3-(4-methylphenyl)sulfanylpropan-2-ol.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-3-(4-methylphenyl)sulfanylpropan-2-ol?
The canonical SMILES for 1-(3,5-dimethylphenyl)-3-(4-methylphenyl)sulfanylpropan-2-ol is Cc1ccc(SCC(O)Cc2cc(C)cc(C)c2)cc1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-3-(4-methylphenyl)sulfanylpropan-2-ol?
The InChIKey is GXICKCRKONHVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22OS/c1-13-4-6-18(7-5-13)20-12-17(19)11-16-9-14(2)8-15(3)10-16/h4-10,17,19H,11-12H2,1-3H3.
What are the key properties of 1-(3,5-dimethylphenyl)-3-(4-methylphenyl)sulfanylpropan-2-ol?
1-(3,5-dimethylphenyl)-3-(4-methylphenyl)sulfanylpropan-2-ol has a molecular weight of 286.44 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-3-(4-methylphenyl)sulfanylpropan-2-ol is sourced from PubChem (CID 66064590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).