(2R)-1-(4-methylphenyl)sulfanyloctan-2-ol

C15H24OS — CID 11064924

IUPAC(2R)-1-(4-methylphenyl)sulfanyloctan-2-ol
SMILESCCCCCC[C@@H](O)CSc1ccc(C)cc1
InChIInChI=1S/C15H24OS/c1-3-4-5-6-7-14(16)12-17-15-10-8-13(2)9-11-15/h8-11,14,16H,3-7,12H2,1-2H3/t14-/m1/s1
InChIKeyXHTITJTUMPSBJO-CQSZACIVSA-N
MW252.42 g/mol
LogP4.42
Rot. Bonds8

About (2R)-1-(4-methylphenyl)sulfanyloctan-2-ol

(2R)-1-(4-methylphenyl)sulfanyloctan-2-ol (PubChem CID 11064924) has the molecular formula C15H24OS and a molecular weight of 252.42 g/mol. Its IUPAC name is (2R)-1-(4-methylphenyl)sulfanyloctan-2-ol.

Molecular Properties

Compound Name(2R)-1-(4-methylphenyl)sulfanyloctan-2-ol
PubChem CID11064924
Molecular FormulaC15H24OS
Molecular Weight252.42 g/mol
Exact Mass252.15
IUPAC Name(2R)-1-(4-methylphenyl)sulfanyloctan-2-ol
SMILESCCCCCC[C@@H](O)CSc1ccc(C)cc1
InChIInChI=1S/C15H24OS/c1-3-4-5-6-7-14(16)12-17-15-10-8-13(2)9-11-15/h8-11,14,16H,3-7,12H2,1-2H3/t14-/m1/s1
InChIKeyXHTITJTUMPSBJO-CQSZACIVSA-N
XLogP4.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.42
LogP ≤ 54.42
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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Related Compounds

[4-(Methylsulfanyl)phenyl]methanol
CID 592968
Ethanol, 2-[(4-methylphenyl)thio]-
CID 83313
(4-(Tert-butylsulfanyl)phenyl)methanol
CID 11830367
[4-(2-Hydroxyethyl)phenyl] thiocyanate
CID 44385847
4-Phenyl-4-(phenylsulfanyl)butan-1-ol
CID 283796
1,2-Propanediol, 3-(o-tolylthio)-
CID 115624
1,2-Propanediol, 3-(p-tolylthio)-
CID 115625
1,3-Propanediol, 2-(p-(butylthio)phenyl)-2-ethyl-
CID 213096
2-m-Tolylsulfanyl-ethanol
CID 2760020
2-[4-(Methylsulfonyl)phenyl]-1-ethanol
CID 22988427
(4-(Propan-2-ylsulfanyl)phenyl)methanol
CID 54216650
[4-(Propylsulfanyl)phenyl]methanol
CID 63812902

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-methylphenyl)sulfanyloctan-2-ol?
The IUPAC name of (2R)-1-(4-methylphenyl)sulfanyloctan-2-ol (CID 11064924) is (2R)-1-(4-methylphenyl)sulfanyloctan-2-ol.
What is the SMILES notation for (2R)-1-(4-methylphenyl)sulfanyloctan-2-ol?
The canonical SMILES for (2R)-1-(4-methylphenyl)sulfanyloctan-2-ol is CCCCCC[C@@H](O)CSc1ccc(C)cc1.
What is the InChIKey of (2R)-1-(4-methylphenyl)sulfanyloctan-2-ol?
The InChIKey is XHTITJTUMPSBJO-CQSZACIVSA-N. The full InChI is InChI=1S/C15H24OS/c1-3-4-5-6-7-14(16)12-17-15-10-8-13(2)9-11-15/h8-11,14,16H,3-7,12H2,1-2H3/t14-/m1/s1.
What are the key properties of (2R)-1-(4-methylphenyl)sulfanyloctan-2-ol?
(2R)-1-(4-methylphenyl)sulfanyloctan-2-ol has a molecular weight of 252.42 g/mol, XLogP of 4.42, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-methylphenyl)sulfanyloctan-2-ol is sourced from PubChem (CID 11064924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).