1-(4-cyclohexylcyclohexyl)-4-ethoxybenzene

C20H30O — CID 57277753

IUPAC1-(4-cyclohexylcyclohexyl)-4-ethoxybenzene
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/h12-18H,2-11H2,1H3
InChIKeyHSERBXNZVXWKTP-UHFFFAOYSA-N
MW286.46 g/mol
LogP5.94
Rot. Bonds4

About 1-(4-cyclohexylcyclohexyl)-4-ethoxybenzene

1-(4-cyclohexylcyclohexyl)-4-ethoxybenzene (PubChem CID 57277753) has the molecular formula C20H30O and a molecular weight of 286.46 g/mol. Its IUPAC name is 1-(4-cyclohexylcyclohexyl)-4-ethoxybenzene.

Molecular Properties

Compound Name1-(4-cyclohexylcyclohexyl)-4-ethoxybenzene
PubChem CID57277753
Molecular FormulaC20H30O
Molecular Weight286.46 g/mol
Exact Mass286.23
IUPAC Name1-(4-cyclohexylcyclohexyl)-4-ethoxybenzene
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/h12-18H,2-11H2,1H3
InChIKeyHSERBXNZVXWKTP-UHFFFAOYSA-N
XLogP5.94
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 ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexylcyclohexyl)-4-ethoxybenzene?
The IUPAC name of 1-(4-cyclohexylcyclohexyl)-4-ethoxybenzene (CID 57277753) is 1-(4-cyclohexylcyclohexyl)-4-ethoxybenzene.
What is the SMILES notation for 1-(4-cyclohexylcyclohexyl)-4-ethoxybenzene?
The canonical SMILES for 1-(4-cyclohexylcyclohexyl)-4-ethoxybenzene is CCOc1ccc(C2CCC(C3CCCCC3)CC2)cc1.
What is the InChIKey of 1-(4-cyclohexylcyclohexyl)-4-ethoxybenzene?
The InChIKey is HSERBXNZVXWKTP-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/h12-18H,2-11H2,1H3.
What are the key properties of 1-(4-cyclohexylcyclohexyl)-4-ethoxybenzene?
1-(4-cyclohexylcyclohexyl)-4-ethoxybenzene has a molecular weight of 286.46 g/mol, XLogP of 5.94, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylcyclohexyl)-4-ethoxybenzene is sourced from PubChem (CID 57277753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).