1-methyl-4-[(R)-octylsulfinyl]benzene

C15H24OS — CID 135058529

IUPAC1-methyl-4-[(R)-octylsulfinyl]benzene
SMILESCCCCCCCC[S@@](=O)c1ccc(C)cc1
InChIInChI=1S/C15H24OS/c1-3-4-5-6-7-8-13-17(16)15-11-9-14(2)10-12-15/h9-12H,3-8,13H2,1-2H3/t17-/m1/s1
InChIKeyHDXLCJOOMDFUKT-QGZVFWFLSA-N
MW252.42 g/mol
LogP4.46
Rot. Bonds8

About 1-methyl-4-[(R)-octylsulfinyl]benzene

1-methyl-4-[(R)-octylsulfinyl]benzene (PubChem CID 135058529) has the molecular formula C15H24OS and a molecular weight of 252.42 g/mol. Its IUPAC name is 1-methyl-4-[(R)-octylsulfinyl]benzene.

Molecular Properties

Compound Name1-methyl-4-[(R)-octylsulfinyl]benzene
PubChem CID135058529
Molecular FormulaC15H24OS
Molecular Weight252.42 g/mol
Exact Mass252.15
IUPAC Name1-methyl-4-[(R)-octylsulfinyl]benzene
SMILESCCCCCCCC[S@@](=O)c1ccc(C)cc1
InChIInChI=1S/C15H24OS/c1-3-4-5-6-7-8-13-17(16)15-11-9-14(2)10-12-15/h9-12H,3-8,13H2,1-2H3/t17-/m1/s1
InChIKeyHDXLCJOOMDFUKT-QGZVFWFLSA-N
XLogP4.46
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.42
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1-methyl-4-[(R)-octylsulfinyl]benzene?
The IUPAC name of 1-methyl-4-[(R)-octylsulfinyl]benzene (CID 135058529) is 1-methyl-4-[(R)-octylsulfinyl]benzene.
What is the SMILES notation for 1-methyl-4-[(R)-octylsulfinyl]benzene?
The canonical SMILES for 1-methyl-4-[(R)-octylsulfinyl]benzene is CCCCCCCC[S@@](=O)c1ccc(C)cc1.
What is the InChIKey of 1-methyl-4-[(R)-octylsulfinyl]benzene?
The InChIKey is HDXLCJOOMDFUKT-QGZVFWFLSA-N. The full InChI is InChI=1S/C15H24OS/c1-3-4-5-6-7-8-13-17(16)15-11-9-14(2)10-12-15/h9-12H,3-8,13H2,1-2H3/t17-/m1/s1.
What are the key properties of 1-methyl-4-[(R)-octylsulfinyl]benzene?
1-methyl-4-[(R)-octylsulfinyl]benzene has a molecular weight of 252.42 g/mol, XLogP of 4.46, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(R)-octylsulfinyl]benzene is sourced from PubChem (CID 135058529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).