[4-(4-ethoxycyclohexyl)cyclohexyl]benzene

C20H30O — CID 148800849

IUPAC[4-(4-ethoxycyclohexyl)cyclohexyl]benzene
SMILESCCOC1CCC(C2CCC(c3ccccc3)CC2)CC1
InChIInChI=1S/C20H30O/c1-2-21-20-14-12-19(13-15-20)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-7,17-20H,2,8-15H2,1H3
InChIKeyVGHPICLZZWJIQB-UHFFFAOYSA-N
MW286.46 g/mol
LogP5.56
Rot. Bonds4

About [4-(4-ethoxycyclohexyl)cyclohexyl]benzene

[4-(4-ethoxycyclohexyl)cyclohexyl]benzene (PubChem CID 148800849) has the molecular formula C20H30O and a molecular weight of 286.46 g/mol. Its IUPAC name is [4-(4-ethoxycyclohexyl)cyclohexyl]benzene.

Molecular Properties

Compound Name[4-(4-ethoxycyclohexyl)cyclohexyl]benzene
PubChem CID148800849
Molecular FormulaC20H30O
Molecular Weight286.46 g/mol
Exact Mass286.23
IUPAC Name[4-(4-ethoxycyclohexyl)cyclohexyl]benzene
SMILESCCOC1CCC(C2CCC(c3ccccc3)CC2)CC1
InChIInChI=1S/C20H30O/c1-2-21-20-14-12-19(13-15-20)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-7,17-20H,2,8-15H2,1H3
InChIKeyVGHPICLZZWJIQB-UHFFFAOYSA-N
XLogP5.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.46
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(4-ethoxycyclohexyl)cyclohexyl]-4-(2-phenylpropyl)benzene
CID 21052580
4-[4-[4-(4-ethoxycyclohexyl)cyclohexyl]phenyl]-2,2,6,6-tetramethylpiperidine
CID 134486502
(4-phenylcyclohexyl)oxymethylbenzene
CID 11043723
benzene;cyclopropylbenzene
CID 144638417
2-ethoxy-6-[4-[4-(trifluoromethyl)phenyl]cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139868846
cyclopropylbenzene;ethylhydrazine
CID 22346635
2-(4-phenylcyclohexyl)oxyethyl formate
CID 175529771
phenylsulfanyl 4-(4-ethoxycyclohexyl)benzoate;pentahydrofluoride
CID 67939432
ethyl 4-oxo-4-(4-phenylcyclohexyl)butanoate
CID 174381996
1-(4-phenylcyclohexyl)propan-1-one
CID 13042788
1-[4-[4-[2-(4-ethoxycyclohexyl)ethyl]cyclohexyl]cyclohexyl]propan-2-ylbenzene
CID 21052683
(4-propylcyclohexyl)benzene
CID 155887669

Frequently Asked Questions

What is the IUPAC name of [4-(4-ethoxycyclohexyl)cyclohexyl]benzene?
The IUPAC name of [4-(4-ethoxycyclohexyl)cyclohexyl]benzene (CID 148800849) is [4-(4-ethoxycyclohexyl)cyclohexyl]benzene.
What is the SMILES notation for [4-(4-ethoxycyclohexyl)cyclohexyl]benzene?
The canonical SMILES for [4-(4-ethoxycyclohexyl)cyclohexyl]benzene is CCOC1CCC(C2CCC(c3ccccc3)CC2)CC1.
What is the InChIKey of [4-(4-ethoxycyclohexyl)cyclohexyl]benzene?
The InChIKey is VGHPICLZZWJIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O/c1-2-21-20-14-12-19(13-15-20)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-7,17-20H,2,8-15H2,1H3.
What are the key properties of [4-(4-ethoxycyclohexyl)cyclohexyl]benzene?
[4-(4-ethoxycyclohexyl)cyclohexyl]benzene has a molecular weight of 286.46 g/mol, XLogP of 5.56, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-ethoxycyclohexyl)cyclohexyl]benzene is sourced from PubChem (CID 148800849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).