[(3R)-3-methoxydecyl]sulfanylbenzene

C17H28OS — CID 11323474

IUPAC[(3R)-3-methoxydecyl]sulfanylbenzene
SMILESCCCCCCC[C@H](CCSc1ccccc1)OC
InChIInChI=1S/C17H28OS/c1-3-4-5-6-8-11-16(18-2)14-15-19-17-12-9-7-10-13-17/h7,9-10,12-13,16H,3-6,8,11,14-15H2,1-2H3/t16-/m1/s1
InChIKeyKCRARQMUFNSBAO-MRXNPFEDSA-N
MW280.48 g/mol
LogP5.54
Rot. Bonds11

About [(3R)-3-methoxydecyl]sulfanylbenzene

[(3R)-3-methoxydecyl]sulfanylbenzene (PubChem CID 11323474) has the molecular formula C17H28OS and a molecular weight of 280.48 g/mol. Its IUPAC name is [(3R)-3-methoxydecyl]sulfanylbenzene.

Molecular Properties

Compound Name[(3R)-3-methoxydecyl]sulfanylbenzene
PubChem CID11323474
Molecular FormulaC17H28OS
Molecular Weight280.48 g/mol
Exact Mass280.19
IUPAC Name[(3R)-3-methoxydecyl]sulfanylbenzene
SMILESCCCCCCC[C@H](CCSc1ccccc1)OC
InChIInChI=1S/C17H28OS/c1-3-4-5-6-8-11-16(18-2)14-15-19-17-12-9-7-10-13-17/h7,9-10,12-13,16H,3-6,8,11,14-15H2,1-2H3/t16-/m1/s1
InChIKeyKCRARQMUFNSBAO-MRXNPFEDSA-N
XLogP5.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.48
LogP ≤ 55.54
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

2-((Phenylsulfanyl)methyl)oxirane
CID 11094998
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-Butoxy-2-phenylmercaptoethane
CID 271491
(s)-(+)-5-(Phenylthio)-2-pentanol
CID 10012926
11-Phenylsulfanylundecyl acetate
CID 10041835
1-(t-Butyl-thioethyl)nonyl (phenyltelluro)formate
CID 10814990
1,1-Bis(phenylsulfanyl)octan-2-ol
CID 12499757
2-[(Phenylsulfanyl)methyl]oxane
CID 13757446

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-methoxydecyl]sulfanylbenzene?
The IUPAC name of [(3R)-3-methoxydecyl]sulfanylbenzene (CID 11323474) is [(3R)-3-methoxydecyl]sulfanylbenzene.
What is the SMILES notation for [(3R)-3-methoxydecyl]sulfanylbenzene?
The canonical SMILES for [(3R)-3-methoxydecyl]sulfanylbenzene is CCCCCCC[C@H](CCSc1ccccc1)OC.
What is the InChIKey of [(3R)-3-methoxydecyl]sulfanylbenzene?
The InChIKey is KCRARQMUFNSBAO-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H28OS/c1-3-4-5-6-8-11-16(18-2)14-15-19-17-12-9-7-10-13-17/h7,9-10,12-13,16H,3-6,8,11,14-15H2,1-2H3/t16-/m1/s1.
What are the key properties of [(3R)-3-methoxydecyl]sulfanylbenzene?
[(3R)-3-methoxydecyl]sulfanylbenzene has a molecular weight of 280.48 g/mol, XLogP of 5.54, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-methoxydecyl]sulfanylbenzene is sourced from PubChem (CID 11323474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).