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

C18H22OS — CID 66088143

IUPAC1-(2,5-dimethylphenyl)-3-(3-methylphenyl)sulfanylpropan-2-ol
SMILESCc1cccc(SCC(O)Cc2cc(C)ccc2C)c1
InChIInChI=1S/C18H22OS/c1-13-5-4-6-18(10-13)20-12-17(19)11-16-9-14(2)7-8-15(16)3/h4-10,17,19H,11-12H2,1-3H3
InChIKeyABWNYHZPYOTGFN-UHFFFAOYSA-N
MW286.44 g/mol
LogP4.31
Rot. Bonds5

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

1-(2,5-dimethylphenyl)-3-(3-methylphenyl)sulfanylpropan-2-ol (PubChem CID 66088143) has the molecular formula C18H22OS and a molecular weight of 286.44 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-3-(3-methylphenyl)sulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-3-(3-methylphenyl)sulfanylpropan-2-ol
PubChem CID66088143
Molecular FormulaC18H22OS
Molecular Weight286.44 g/mol
Exact Mass286.14
IUPAC Name1-(2,5-dimethylphenyl)-3-(3-methylphenyl)sulfanylpropan-2-ol
SMILESCc1cccc(SCC(O)Cc2cc(C)ccc2C)c1
InChIInChI=1S/C18H22OS/c1-13-5-4-6-18(10-13)20-12-17(19)11-16-9-14(2)7-8-15(16)3/h4-10,17,19H,11-12H2,1-3H3
InChIKeyABWNYHZPYOTGFN-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-(2,5-dimethylphenyl)-2-(3-methylphenyl)sulfanylethanol
CID 66088132
1-(3-methylphenyl)sulfanylpropan-2-ol
CID 61244165
1-(2,5-dimethylphenyl)-3-(2-methylpropylsulfanyl)propan-2-ol
CID 65135661
4,6-dimethyl-1-(3-methylphenyl)sulfanylheptan-2-ol
CID 114200730
1-(3-methylphenyl)-3-(4-methylphenyl)sulfanylpropan-2-ol
CID 66065371
(2R)-1-(2,5-dimethylphenyl)butan-2-ol
CID 94208295
1-(3-methylphenyl)sulfanyl-3-(propan-2-ylamino)propan-2-ol
CID 61243797
1-(3-methylphenyl)sulfanylundecan-2-ol
CID 66086586
1-(3-methylphenyl)sulfanyl-3-propoxypropan-2-ol
CID 79566648
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(3-methylphenyl)sulfanylpropan-2-ol
CID 79828046
1-(3-chlorophenyl)sulfanyl-3-(2,5-dimethylphenyl)-N-methylpropan-2-amine
CID 66145796
1-(3-fluoro-4-methylphenyl)-2-(3-methylphenyl)sulfanylethanol
CID 107128531

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-3-(3-methylphenyl)sulfanylpropan-2-ol?
The IUPAC name of 1-(2,5-dimethylphenyl)-3-(3-methylphenyl)sulfanylpropan-2-ol (CID 66088143) is 1-(2,5-dimethylphenyl)-3-(3-methylphenyl)sulfanylpropan-2-ol.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-3-(3-methylphenyl)sulfanylpropan-2-ol?
The canonical SMILES for 1-(2,5-dimethylphenyl)-3-(3-methylphenyl)sulfanylpropan-2-ol is Cc1cccc(SCC(O)Cc2cc(C)ccc2C)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-3-(3-methylphenyl)sulfanylpropan-2-ol?
The InChIKey is ABWNYHZPYOTGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22OS/c1-13-5-4-6-18(10-13)20-12-17(19)11-16-9-14(2)7-8-15(16)3/h4-10,17,19H,11-12H2,1-3H3.
What are the key properties of 1-(2,5-dimethylphenyl)-3-(3-methylphenyl)sulfanylpropan-2-ol?
1-(2,5-dimethylphenyl)-3-(3-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-(2,5-dimethylphenyl)-3-(3-methylphenyl)sulfanylpropan-2-ol is sourced from PubChem (CID 66088143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).