2-methyl-3-phenylsulfanylheptan-2-ol

C14H22OS — CID 11160765

IUPAC2-methyl-3-phenylsulfanylheptan-2-ol
SMILESCCCCC(Sc1ccccc1)C(C)(C)O
InChIInChI=1S/C14H22OS/c1-4-5-11-13(14(2,3)15)16-12-9-7-6-8-10-12/h6-10,13,15H,4-5,11H2,1-3H3
InChIKeyVKMLHHNPHCMUDU-UHFFFAOYSA-N
MW238.40 g/mol
LogP4.11
Rot. Bonds6

About 2-methyl-3-phenylsulfanylheptan-2-ol

2-methyl-3-phenylsulfanylheptan-2-ol (PubChem CID 11160765) has the molecular formula C14H22OS and a molecular weight of 238.40 g/mol. Its IUPAC name is 2-methyl-3-phenylsulfanylheptan-2-ol.

Molecular Properties

Compound Name2-methyl-3-phenylsulfanylheptan-2-ol
PubChem CID11160765
Molecular FormulaC14H22OS
Molecular Weight238.40 g/mol
Exact Mass238.14
IUPAC Name2-methyl-3-phenylsulfanylheptan-2-ol
SMILESCCCCC(Sc1ccccc1)C(C)(C)O
InChIInChI=1S/C14H22OS/c1-4-5-11-13(14(2,3)15)16-12-9-7-6-8-10-12/h6-10,13,15H,4-5,11H2,1-3H3
InChIKeyVKMLHHNPHCMUDU-UHFFFAOYSA-N
XLogP4.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(Phenylthio)methyl]cyclohexanol
CID 329393
1-(Bis(phenylthio)methyl)cycloheptanol
CID 361771
1-(Phenylsulfanyl)-2-octanol
CID 11276474
1-((Phenylsulfinyl)methyl)cyclohexanol
CID 380799
3-Methyl-1-(phenylsulfanyl)butan-2-ol
CID 12562878
4-Fluoro-2-methyl-3-phenylsulfanylbutan-2-ol
CID 13596561
3,7-Dimethyl-5-(phenylthio)octa-1,6-dien-3-ol
CID 551454
(s)-(+)-5-(Phenylthio)-2-pentanol
CID 10012926
1-[(E)-2-phenylsulfanylethenyl]cyclohexan-1-ol
CID 11020834
(2R)-1-(4-methylphenyl)sulfanyloctan-2-ol
CID 11064924
2-Methyl-2-phenylsulfanylheptan-3-ol
CID 11356852
1-(1-Phenylsulfanylethenyl)cyclopentan-1-ol
CID 15668801

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-phenylsulfanylheptan-2-ol?
The IUPAC name of 2-methyl-3-phenylsulfanylheptan-2-ol (CID 11160765) is 2-methyl-3-phenylsulfanylheptan-2-ol.
What is the SMILES notation for 2-methyl-3-phenylsulfanylheptan-2-ol?
The canonical SMILES for 2-methyl-3-phenylsulfanylheptan-2-ol is CCCCC(Sc1ccccc1)C(C)(C)O.
What is the InChIKey of 2-methyl-3-phenylsulfanylheptan-2-ol?
The InChIKey is VKMLHHNPHCMUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22OS/c1-4-5-11-13(14(2,3)15)16-12-9-7-6-8-10-12/h6-10,13,15H,4-5,11H2,1-3H3.
What are the key properties of 2-methyl-3-phenylsulfanylheptan-2-ol?
2-methyl-3-phenylsulfanylheptan-2-ol has a molecular weight of 238.40 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-phenylsulfanylheptan-2-ol is sourced from PubChem (CID 11160765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).