1-(phenylsulfanylmethyl)cyclooctan-1-ol

C15H22OS — CID 13448040

IUPAC1-(phenylsulfanylmethyl)cyclooctan-1-ol
SMILESOC1(CSc2ccccc2)CCCCCCC1
InChIInChI=1S/C15H22OS/c16-15(11-7-2-1-3-8-12-15)13-17-14-9-5-4-6-10-14/h4-6,9-10,16H,1-3,7-8,11-13H2
InChIKeyQXZUXSLWCFPAJH-UHFFFAOYSA-N
MW250.41 g/mol
LogP4.25
Rot. Bonds3

About 1-(phenylsulfanylmethyl)cyclooctan-1-ol

1-(phenylsulfanylmethyl)cyclooctan-1-ol (PubChem CID 13448040) has the molecular formula C15H22OS and a molecular weight of 250.41 g/mol. Its IUPAC name is 1-(phenylsulfanylmethyl)cyclooctan-1-ol.

Molecular Properties

Compound Name1-(phenylsulfanylmethyl)cyclooctan-1-ol
PubChem CID13448040
Molecular FormulaC15H22OS
Molecular Weight250.41 g/mol
Exact Mass250.14
IUPAC Name1-(phenylsulfanylmethyl)cyclooctan-1-ol
SMILESOC1(CSc2ccccc2)CCCCCCC1
InChIInChI=1S/C15H22OS/c16-15(11-7-2-1-3-8-12-15)13-17-14-9-5-4-6-10-14/h4-6,9-10,16H,1-3,7-8,11-13H2
InChIKeyQXZUXSLWCFPAJH-UHFFFAOYSA-N
XLogP4.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(phenylsulfanylmethyl)cyclooctan-1-ol?
The IUPAC name of 1-(phenylsulfanylmethyl)cyclooctan-1-ol (CID 13448040) is 1-(phenylsulfanylmethyl)cyclooctan-1-ol.
What is the SMILES notation for 1-(phenylsulfanylmethyl)cyclooctan-1-ol?
The canonical SMILES for 1-(phenylsulfanylmethyl)cyclooctan-1-ol is OC1(CSc2ccccc2)CCCCCCC1.
What is the InChIKey of 1-(phenylsulfanylmethyl)cyclooctan-1-ol?
The InChIKey is QXZUXSLWCFPAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22OS/c16-15(11-7-2-1-3-8-12-15)13-17-14-9-5-4-6-10-14/h4-6,9-10,16H,1-3,7-8,11-13H2.
What are the key properties of 1-(phenylsulfanylmethyl)cyclooctan-1-ol?
1-(phenylsulfanylmethyl)cyclooctan-1-ol has a molecular weight of 250.41 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(phenylsulfanylmethyl)cyclooctan-1-ol is sourced from PubChem (CID 13448040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).