1-[2-[4-(tert-butylsulfanylmethyl)cyclohexyl]ethyl]-4-cyclohexyloxybenzene

C25H40OS — CID 59545319

IUPAC1-[2-[4-(tert-butylsulfanylmethyl)cyclohexyl]ethyl]-4-cyclohexyloxybenzene
SMILESCC(C)(C)SCC1CCC(CCc2ccc(OC3CCCCC3)cc2)CC1
InChIInChI=1S/C25H40OS/c1-25(2,3)27-19-22-13-11-20(12-14-22)9-10-21-15-17-24(18-16-21)26-23-7-5-4-6-8-23/h15-18,20,22-23H,4-14,19H2,1-3H3
InChIKeyKNVBQRLGUOMOCQ-UHFFFAOYSA-N
MW388.66 g/mol
LogP7.67
Rot. Bonds7

About 1-[2-[4-(tert-butylsulfanylmethyl)cyclohexyl]ethyl]-4-cyclohexyloxybenzene

1-[2-[4-(tert-butylsulfanylmethyl)cyclohexyl]ethyl]-4-cyclohexyloxybenzene (PubChem CID 59545319) has the molecular formula C25H40OS and a molecular weight of 388.66 g/mol. Its IUPAC name is 1-[2-[4-(tert-butylsulfanylmethyl)cyclohexyl]ethyl]-4-cyclohexyloxybenzene.

Molecular Properties

Compound Name1-[2-[4-(tert-butylsulfanylmethyl)cyclohexyl]ethyl]-4-cyclohexyloxybenzene
PubChem CID59545319
Molecular FormulaC25H40OS
Molecular Weight388.66 g/mol
Exact Mass388.28
IUPAC Name1-[2-[4-(tert-butylsulfanylmethyl)cyclohexyl]ethyl]-4-cyclohexyloxybenzene
SMILESCC(C)(C)SCC1CCC(CCc2ccc(OC3CCCCC3)cc2)CC1
InChIInChI=1S/C25H40OS/c1-25(2,3)27-19-22-13-11-20(12-14-22)9-10-21-15-17-24(18-16-21)26-23-7-5-4-6-8-23/h15-18,20,22-23H,4-14,19H2,1-3H3
InChIKeyKNVBQRLGUOMOCQ-UHFFFAOYSA-N
XLogP7.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.66
LogP ≤ 57.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclobutyloxy-4-propylbenzene
CID 178141621
4-[2-[4-(tert-butylsulfanylmethyl)cyclohexyl]ethyl]-2-fluoro-1-methylbenzene
CID 59545823
1-tert-butyl-4-cyclohexyloxybenzene
CID 10466491
3-(4-cyclopentyloxyphenyl)-N-methylpropan-1-amine
CID 95449970
4-(4-cyclopentyloxyphenyl)butan-2-amine
CID 16782847
4-(4-cyclohexyloxyphenyl)-N-methylbutan-2-amine
CID 43279731
(NE)-N-[4-(4-cyclohexyloxyphenyl)butan-2-ylidene]hydroxylamine
CID 43093796
1-(2-cyclohexylethyl)-4-(4-heptoxyphenyl)benzene
CID 173349748
1-(2-cyclohexylethyl)-4-(4-undecoxyphenyl)benzene
CID 173349817
3-(4-cyclopentyloxyphenyl)propanenitrile
CID 82471335
1-bromo-4-(2-cyclohexylethyl)benzene
CID 70911699
1-propoxy-4-[2-(4-propylcyclohexyl)ethyl]benzene
CID 15641416

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(tert-butylsulfanylmethyl)cyclohexyl]ethyl]-4-cyclohexyloxybenzene?
The IUPAC name of 1-[2-[4-(tert-butylsulfanylmethyl)cyclohexyl]ethyl]-4-cyclohexyloxybenzene (CID 59545319) is 1-[2-[4-(tert-butylsulfanylmethyl)cyclohexyl]ethyl]-4-cyclohexyloxybenzene.
What is the SMILES notation for 1-[2-[4-(tert-butylsulfanylmethyl)cyclohexyl]ethyl]-4-cyclohexyloxybenzene?
The canonical SMILES for 1-[2-[4-(tert-butylsulfanylmethyl)cyclohexyl]ethyl]-4-cyclohexyloxybenzene is CC(C)(C)SCC1CCC(CCc2ccc(OC3CCCCC3)cc2)CC1.
What is the InChIKey of 1-[2-[4-(tert-butylsulfanylmethyl)cyclohexyl]ethyl]-4-cyclohexyloxybenzene?
The InChIKey is KNVBQRLGUOMOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40OS/c1-25(2,3)27-19-22-13-11-20(12-14-22)9-10-21-15-17-24(18-16-21)26-23-7-5-4-6-8-23/h15-18,20,22-23H,4-14,19H2,1-3H3.
What are the key properties of 1-[2-[4-(tert-butylsulfanylmethyl)cyclohexyl]ethyl]-4-cyclohexyloxybenzene?
1-[2-[4-(tert-butylsulfanylmethyl)cyclohexyl]ethyl]-4-cyclohexyloxybenzene has a molecular weight of 388.66 g/mol, XLogP of 7.67, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(tert-butylsulfanylmethyl)cyclohexyl]ethyl]-4-cyclohexyloxybenzene is sourced from PubChem (CID 59545319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).