1-(2,5-dimethylphenyl)-3-(2-methylpropylsulfanyl)propan-2-ol

C15H24OS — CID 65135661

IUPAC1-(2,5-dimethylphenyl)-3-(2-methylpropylsulfanyl)propan-2-ol
SMILESCc1ccc(C)c(CC(O)CSCC(C)C)c1
InChIInChI=1S/C15H24OS/c1-11(2)9-17-10-15(16)8-14-7-12(3)5-6-13(14)4/h5-7,11,15-16H,8-10H2,1-4H3
InChIKeyNUYSOOJQGACJRJ-UHFFFAOYSA-N
MW252.42 g/mol
LogP3.60
Rot. Bonds6

About 1-(2,5-dimethylphenyl)-3-(2-methylpropylsulfanyl)propan-2-ol

1-(2,5-dimethylphenyl)-3-(2-methylpropylsulfanyl)propan-2-ol (PubChem CID 65135661) has the molecular formula C15H24OS and a molecular weight of 252.42 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-3-(2-methylpropylsulfanyl)propan-2-ol.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-3-(2-methylpropylsulfanyl)propan-2-ol
PubChem CID65135661
Molecular FormulaC15H24OS
Molecular Weight252.42 g/mol
Exact Mass252.15
IUPAC Name1-(2,5-dimethylphenyl)-3-(2-methylpropylsulfanyl)propan-2-ol
SMILESCc1ccc(C)c(CC(O)CSCC(C)C)c1
InChIInChI=1S/C15H24OS/c1-11(2)9-17-10-15(16)8-14-7-12(3)5-6-13(14)4/h5-7,11,15-16H,8-10H2,1-4H3
InChIKeyNUYSOOJQGACJRJ-UHFFFAOYSA-N
XLogP3.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.42
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethylphenyl)-N-methyl-3-(2-methylpropylsulfanyl)propan-2-amine
CID 65135800
(2R)-1-(2,5-dimethylphenyl)butan-2-ol
CID 94208295
1-(2,5-dimethylphenyl)-6-methylheptan-2-ol
CID 115830018
1-(2,5-dimethylphenyl)-3-(3-methylphenyl)sulfanylpropan-2-ol
CID 66088143
1-(2,5-dimethylphenyl)-3-methoxybutan-2-ol
CID 79616300
4-(2,5-dimethylphenyl)-3-hydroxybutanenitrile
CID 82075422
1-(5-chloro-2-fluorophenyl)-3-(2-methylpropylsulfanyl)propan-2-ol
CID 103048235
1-(2,5-dimethylphenyl)-5,5,5-trifluoropentan-2-ol
CID 79953572
1-(2,5-dimethylphenyl)-3-methylsulfonylpropan-2-ol
CID 62472724
1-(4-bromo-2-fluorophenyl)-3-(2-methylpropylsulfanyl)propan-2-ol
CID 65135215
1-(5-bromo-2-fluorophenyl)-3-(2-methylpropylsulfanyl)propan-2-ol
CID 65135556
2-(2,5-dimethylphenyl)-1-(4-methylphenyl)ethanol
CID 61481687

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-3-(2-methylpropylsulfanyl)propan-2-ol?
The IUPAC name of 1-(2,5-dimethylphenyl)-3-(2-methylpropylsulfanyl)propan-2-ol (CID 65135661) is 1-(2,5-dimethylphenyl)-3-(2-methylpropylsulfanyl)propan-2-ol.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-3-(2-methylpropylsulfanyl)propan-2-ol?
The canonical SMILES for 1-(2,5-dimethylphenyl)-3-(2-methylpropylsulfanyl)propan-2-ol is Cc1ccc(C)c(CC(O)CSCC(C)C)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-3-(2-methylpropylsulfanyl)propan-2-ol?
The InChIKey is NUYSOOJQGACJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24OS/c1-11(2)9-17-10-15(16)8-14-7-12(3)5-6-13(14)4/h5-7,11,15-16H,8-10H2,1-4H3.
What are the key properties of 1-(2,5-dimethylphenyl)-3-(2-methylpropylsulfanyl)propan-2-ol?
1-(2,5-dimethylphenyl)-3-(2-methylpropylsulfanyl)propan-2-ol has a molecular weight of 252.42 g/mol, XLogP of 3.60, 6 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-(2-methylpropylsulfanyl)propan-2-ol is sourced from PubChem (CID 65135661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).