1-(1-cyclohexyloxyethylsulfanyl)-4-methylbenzene

C15H22OS — CID 162407528

IUPAC1-(1-cyclohexyloxyethylsulfanyl)-4-methylbenzene
SMILESCc1ccc(SC(C)OC2CCCCC2)cc1
InChIInChI=1S/C15H22OS/c1-12-8-10-15(11-9-12)17-13(2)16-14-6-4-3-5-7-14/h8-11,13-14H,3-7H2,1-2H3
InChIKeyODQVMBHCTPGALX-UHFFFAOYSA-N
MW250.41 g/mol
LogP4.78
Rot. Bonds4

About 1-(1-cyclohexyloxyethylsulfanyl)-4-methylbenzene

1-(1-cyclohexyloxyethylsulfanyl)-4-methylbenzene (PubChem CID 162407528) has the molecular formula C15H22OS and a molecular weight of 250.41 g/mol. Its IUPAC name is 1-(1-cyclohexyloxyethylsulfanyl)-4-methylbenzene.

Molecular Properties

Compound Name1-(1-cyclohexyloxyethylsulfanyl)-4-methylbenzene
PubChem CID162407528
Molecular FormulaC15H22OS
Molecular Weight250.41 g/mol
Exact Mass250.14
IUPAC Name1-(1-cyclohexyloxyethylsulfanyl)-4-methylbenzene
SMILESCc1ccc(SC(C)OC2CCCCC2)cc1
InChIInChI=1S/C15H22OS/c1-12-8-10-15(11-9-12)17-13(2)16-14-6-4-3-5-7-14/h8-11,13-14H,3-7H2,1-2H3
InChIKeyODQVMBHCTPGALX-UHFFFAOYSA-N
XLogP4.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Sulfonium, dimethyl((tetrahydro-2H-pyran-2-yl)methyl)-, salt with 4-methylbenzenesulfonic acid (1:1)
CID 3062276
trans-2-(p-Tolylthio)cyclohexanol
CID 11535899
trans-(1S,2S)-2-(4-methylphenyl)sulfanylcyclohexan-1-ol
CID 12922227
chloro-[[(2R,4R,5S)-4-fluoro-5-[(4-methylphenyl)sulfinylmethyl]oxolan-2-yl]methyl]mercury
CID 134880965
4-Methyl-2-(phenylthio)tetrahydro-2H-pyran
CID 361775
(2R)-1-(4-methylphenyl)sulfanyloctan-2-ol
CID 11064924
2-[(Phenylsulfanyl)methyl]oxane
CID 13757446
1-[(R)-2-ethoxyethylsulfinyl]-4-methylbenzene
CID 15004745
5-Phenylsulfanyl-1-oxaspiro[5.5]undecane
CID 15456622
1-[(1S,2S)-2-methoxy-2-[(2E)-penta-2,4-dienyl]cyclohexyl]sulfanyl-4-methylbenzene
CID 15504179
1-[(1S,2S)-2-methoxy-2-[(2E)-penta-2,4-dienyl]cyclopentyl]sulfanyl-4-methylbenzene
CID 15507835
trans-(1S,2S)-2-(4-methylphenyl)sulfanylcyclopentan-1-ol
CID 100924602

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexyloxyethylsulfanyl)-4-methylbenzene?
The IUPAC name of 1-(1-cyclohexyloxyethylsulfanyl)-4-methylbenzene (CID 162407528) is 1-(1-cyclohexyloxyethylsulfanyl)-4-methylbenzene.
What is the SMILES notation for 1-(1-cyclohexyloxyethylsulfanyl)-4-methylbenzene?
The canonical SMILES for 1-(1-cyclohexyloxyethylsulfanyl)-4-methylbenzene is Cc1ccc(SC(C)OC2CCCCC2)cc1.
What is the InChIKey of 1-(1-cyclohexyloxyethylsulfanyl)-4-methylbenzene?
The InChIKey is ODQVMBHCTPGALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22OS/c1-12-8-10-15(11-9-12)17-13(2)16-14-6-4-3-5-7-14/h8-11,13-14H,3-7H2,1-2H3.
What are the key properties of 1-(1-cyclohexyloxyethylsulfanyl)-4-methylbenzene?
1-(1-cyclohexyloxyethylsulfanyl)-4-methylbenzene has a molecular weight of 250.41 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexyloxyethylsulfanyl)-4-methylbenzene is sourced from PubChem (CID 162407528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).