[(2R)-2-methoxyoctyl]sulfanylbenzene

C15H24OS — CID 85090303

IUPAC[(2R)-2-methoxyoctyl]sulfanylbenzene
SMILESCCCCCC[C@H](CSc1ccccc1)OC
InChIInChI=1S/C15H24OS/c1-3-4-5-7-10-14(16-2)13-17-15-11-8-6-9-12-15/h6,8-9,11-12,14H,3-5,7,10,13H2,1-2H3/t14-/m1/s1
InChIKeyMTZZCXFQKBMYAC-CQSZACIVSA-N
MW252.42 g/mol
LogP4.76
Rot. Bonds9

About [(2R)-2-methoxyoctyl]sulfanylbenzene

[(2R)-2-methoxyoctyl]sulfanylbenzene (PubChem CID 85090303) has the molecular formula C15H24OS and a molecular weight of 252.42 g/mol. Its IUPAC name is [(2R)-2-methoxyoctyl]sulfanylbenzene.

Molecular Properties

Compound Name[(2R)-2-methoxyoctyl]sulfanylbenzene
PubChem CID85090303
Molecular FormulaC15H24OS
Molecular Weight252.42 g/mol
Exact Mass252.15
IUPAC Name[(2R)-2-methoxyoctyl]sulfanylbenzene
SMILESCCCCCC[C@H](CSc1ccccc1)OC
InChIInChI=1S/C15H24OS/c1-3-4-5-7-10-14(16-2)13-17-15-11-8-6-9-12-15/h6,8-9,11-12,14H,3-5,7,10,13H2,1-2H3/t14-/m1/s1
InChIKeyMTZZCXFQKBMYAC-CQSZACIVSA-N
XLogP4.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.42
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(Phenylthio)-2-propanol
CID 99788
2-((Phenylsulfanyl)methyl)oxirane
CID 11094998
Tetrahydro-2-(phenylthio)-2H-pyran
CID 89408
2-(Phenylsulfanyl)cyclohexanol
CID 278135
2-Octoxyethylsulfonylbenzene
CID 44377556
[(2-Ethoxyethyl)sulfanyl]benzene
CID 271506
1-(Phenylsulfanyl)-2-octanol
CID 11276474
(Phenylthio)acetic acid, octyl ester
CID 531629
(Phenylthio)acetic acid, dodecyl ester
CID 531632
1-(1-Butoxyethylsulfanyl)-4-fluorobenzene
CID 101898093
1-Butoxy-2-phenylmercaptoethane
CID 271491
(s)-(+)-5-(Phenylthio)-2-pentanol
CID 10012926

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-methoxyoctyl]sulfanylbenzene?
The IUPAC name of [(2R)-2-methoxyoctyl]sulfanylbenzene (CID 85090303) is [(2R)-2-methoxyoctyl]sulfanylbenzene.
What is the SMILES notation for [(2R)-2-methoxyoctyl]sulfanylbenzene?
The canonical SMILES for [(2R)-2-methoxyoctyl]sulfanylbenzene is CCCCCC[C@H](CSc1ccccc1)OC.
What is the InChIKey of [(2R)-2-methoxyoctyl]sulfanylbenzene?
The InChIKey is MTZZCXFQKBMYAC-CQSZACIVSA-N. The full InChI is InChI=1S/C15H24OS/c1-3-4-5-7-10-14(16-2)13-17-15-11-8-6-9-12-15/h6,8-9,11-12,14H,3-5,7,10,13H2,1-2H3/t14-/m1/s1.
What are the key properties of [(2R)-2-methoxyoctyl]sulfanylbenzene?
[(2R)-2-methoxyoctyl]sulfanylbenzene has a molecular weight of 252.42 g/mol, XLogP of 4.76, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-methoxyoctyl]sulfanylbenzene is sourced from PubChem (CID 85090303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).