(2R)-1-benzylsulfanyloctan-2-ol

C15H24OS — CID 10999551

IUPAC(2R)-1-benzylsulfanyloctan-2-ol
SMILESCCCCCC[C@@H](O)CSCc1ccccc1
InChIInChI=1S/C15H24OS/c1-2-3-4-8-11-15(16)13-17-12-14-9-6-5-7-10-14/h5-7,9-10,15-16H,2-4,8,11-13H2,1H3/t15-/m1/s1
InChIKeyUGUCJMVGUPZIFJ-OAHLLOKOSA-N
MW252.42 g/mol
LogP4.25
Rot. Bonds9

About (2R)-1-benzylsulfanyloctan-2-ol

(2R)-1-benzylsulfanyloctan-2-ol (PubChem CID 10999551) has the molecular formula C15H24OS and a molecular weight of 252.42 g/mol. Its IUPAC name is (2R)-1-benzylsulfanyloctan-2-ol.

Molecular Properties

Compound Name(2R)-1-benzylsulfanyloctan-2-ol
PubChem CID10999551
Molecular FormulaC15H24OS
Molecular Weight252.42 g/mol
Exact Mass252.15
IUPAC Name(2R)-1-benzylsulfanyloctan-2-ol
SMILESCCCCCC[C@@H](O)CSCc1ccccc1
InChIInChI=1S/C15H24OS/c1-2-3-4-8-11-15(16)13-17-12-14-9-6-5-7-10-14/h5-7,9-10,15-16H,2-4,8,11-13H2,1H3/t15-/m1/s1
InChIKeyUGUCJMVGUPZIFJ-OAHLLOKOSA-N
XLogP4.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.42
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-benzylsulfanyloctan-2-ol?
The IUPAC name of (2R)-1-benzylsulfanyloctan-2-ol (CID 10999551) is (2R)-1-benzylsulfanyloctan-2-ol.
What is the SMILES notation for (2R)-1-benzylsulfanyloctan-2-ol?
The canonical SMILES for (2R)-1-benzylsulfanyloctan-2-ol is CCCCCC[C@@H](O)CSCc1ccccc1.
What is the InChIKey of (2R)-1-benzylsulfanyloctan-2-ol?
The InChIKey is UGUCJMVGUPZIFJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H24OS/c1-2-3-4-8-11-15(16)13-17-12-14-9-6-5-7-10-14/h5-7,9-10,15-16H,2-4,8,11-13H2,1H3/t15-/m1/s1.
What are the key properties of (2R)-1-benzylsulfanyloctan-2-ol?
(2R)-1-benzylsulfanyloctan-2-ol has a molecular weight of 252.42 g/mol, XLogP of 4.25, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-benzylsulfanyloctan-2-ol is sourced from PubChem (CID 10999551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).