1-(1-methoxycyclohexyl)ethenylsulfanylbenzene

C15H20OS — CID 11673221

IUPAC1-(1-methoxycyclohexyl)ethenylsulfanylbenzene
SMILESC=C(Sc1ccccc1)C1(OC)CCCCC1
InChIInChI=1S/C15H20OS/c1-13(17-14-9-5-3-6-10-14)15(16-2)11-7-4-8-12-15/h3,5-6,9-10H,1,4,7-8,11-12H2,2H3
InChIKeyUOYHRQFLHAZBKC-UHFFFAOYSA-N
MW248.39 g/mol
LogP4.64
Rot. Bonds4

About 1-(1-methoxycyclohexyl)ethenylsulfanylbenzene

1-(1-methoxycyclohexyl)ethenylsulfanylbenzene (PubChem CID 11673221) has the molecular formula C15H20OS and a molecular weight of 248.39 g/mol. Its IUPAC name is 1-(1-methoxycyclohexyl)ethenylsulfanylbenzene.

Molecular Properties

Compound Name1-(1-methoxycyclohexyl)ethenylsulfanylbenzene
PubChem CID11673221
Molecular FormulaC15H20OS
Molecular Weight248.39 g/mol
Exact Mass248.12
IUPAC Name1-(1-methoxycyclohexyl)ethenylsulfanylbenzene
SMILESC=C(Sc1ccccc1)C1(OC)CCCCC1
InChIInChI=1S/C15H20OS/c1-13(17-14-9-5-3-6-10-14)15(16-2)11-7-4-8-12-15/h3,5-6,9-10H,1,4,7-8,11-12H2,2H3
InChIKeyUOYHRQFLHAZBKC-UHFFFAOYSA-N
XLogP4.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(1-methoxycyclohexyl)ethenylsulfanylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(Phenylthio)methyl]cyclohexanol
CID 329393
1-[(E)-2-phenylsulfanylethenyl]cyclohexan-1-ol
CID 11020834
cis-(1S,2S)-1-methyl-2-phenylsulfanylcyclohexan-1-ol
CID 10353521
[(3S,6S)-6-ethyl-3-methoxycyclohexen-1-yl]sulfonylbenzene
CID 10356327
1-(1-Phenylsulfanylethyl)cyclohexan-1-ol
CID 11736509
1-[3-Methyl-1-(phenylsulfanyl)buta-1,2-dien-1-yl]cyclohexan-1-ol
CID 13171782
2,2-Dimethyl-4-phenylsulfanyl-1-oxaspiro[4.5]dec-3-ene
CID 13171788
2,2-Dimethyl-4-phenylsulfanyl-1-oxaspiro[4.4]non-3-ene
CID 13171789
2,2-Dimethyl-3-phenylsulfanyl-1-oxaspiro[4.5]dec-3-ene
CID 13171790
14-Phenylsulfanyl-7-oxadispiro[5.1.58.26]pentadec-14-ene
CID 13171791
14-Phenylsulfanyl-6-oxadispiro[4.1.57.25]tetradec-13-ene
CID 13171792
1-(1-Phenylsulfanylethenyl)cyclohexan-1-ol
CID 15442002

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxycyclohexyl)ethenylsulfanylbenzene?
The IUPAC name of 1-(1-methoxycyclohexyl)ethenylsulfanylbenzene (CID 11673221) is 1-(1-methoxycyclohexyl)ethenylsulfanylbenzene.
What is the SMILES notation for 1-(1-methoxycyclohexyl)ethenylsulfanylbenzene?
The canonical SMILES for 1-(1-methoxycyclohexyl)ethenylsulfanylbenzene is C=C(Sc1ccccc1)C1(OC)CCCCC1.
What is the InChIKey of 1-(1-methoxycyclohexyl)ethenylsulfanylbenzene?
The InChIKey is UOYHRQFLHAZBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20OS/c1-13(17-14-9-5-3-6-10-14)15(16-2)11-7-4-8-12-15/h3,5-6,9-10H,1,4,7-8,11-12H2,2H3.
What are the key properties of 1-(1-methoxycyclohexyl)ethenylsulfanylbenzene?
1-(1-methoxycyclohexyl)ethenylsulfanylbenzene has a molecular weight of 248.39 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxycyclohexyl)ethenylsulfanylbenzene is sourced from PubChem (CID 11673221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).