3-methyl-1-phenylsulfanylpentan-2-ol

C12H18OS — CID 79444974

IUPAC3-methyl-1-phenylsulfanylpentan-2-ol
SMILESCCC(C)C(O)CSc1ccccc1
InChIInChI=1S/C12H18OS/c1-3-10(2)12(13)9-14-11-7-5-4-6-8-11/h4-8,10,12-13H,3,9H2,1-2H3
InChIKeyHZTWLYINOOEDKL-UHFFFAOYSA-N
MW210.34 g/mol
LogP3.19
Rot. Bonds5

About 3-methyl-1-phenylsulfanylpentan-2-ol

3-methyl-1-phenylsulfanylpentan-2-ol (PubChem CID 79444974) has the molecular formula C12H18OS and a molecular weight of 210.34 g/mol. Its IUPAC name is 3-methyl-1-phenylsulfanylpentan-2-ol.

Molecular Properties

Compound Name3-methyl-1-phenylsulfanylpentan-2-ol
PubChem CID79444974
Molecular FormulaC12H18OS
Molecular Weight210.34 g/mol
Exact Mass210.11
IUPAC Name3-methyl-1-phenylsulfanylpentan-2-ol
SMILESCCC(C)C(O)CSc1ccccc1
InChIInChI=1S/C12H18OS/c1-3-10(2)12(13)9-14-11-7-5-4-6-8-11/h4-8,10,12-13H,3,9H2,1-2H3
InChIKeyHZTWLYINOOEDKL-UHFFFAOYSA-N
XLogP3.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.34
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-phenylsulfanylpentan-2-ol?
The IUPAC name of 3-methyl-1-phenylsulfanylpentan-2-ol (CID 79444974) is 3-methyl-1-phenylsulfanylpentan-2-ol.
What is the SMILES notation for 3-methyl-1-phenylsulfanylpentan-2-ol?
The canonical SMILES for 3-methyl-1-phenylsulfanylpentan-2-ol is CCC(C)C(O)CSc1ccccc1.
What is the InChIKey of 3-methyl-1-phenylsulfanylpentan-2-ol?
The InChIKey is HZTWLYINOOEDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18OS/c1-3-10(2)12(13)9-14-11-7-5-4-6-8-11/h4-8,10,12-13H,3,9H2,1-2H3.
What are the key properties of 3-methyl-1-phenylsulfanylpentan-2-ol?
3-methyl-1-phenylsulfanylpentan-2-ol has a molecular weight of 210.34 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-phenylsulfanylpentan-2-ol is sourced from PubChem (CID 79444974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).