1-[[4-(4-ethenylcyclohexyl)cyclohexyl]methoxy]-4-methoxybenzene

C22H32O2 — CID 141151529

IUPAC1-[[4-(4-ethenylcyclohexyl)cyclohexyl]methoxy]-4-methoxybenzene
SMILESC=CC1CCC(C2CCC(COc3ccc(OC)cc3)CC2)CC1
InChIInChI=1S/C22H32O2/c1-3-17-4-8-19(9-5-17)20-10-6-18(7-11-20)16-24-22-14-12-21(23-2)13-15-22/h3,12-15,17-20H,1,4-11,16H2,2H3
InChIKeyJVARDHOTYJFGAR-UHFFFAOYSA-N
MW328.50 g/mol
LogP5.87
Rot. Bonds6

About 1-[[4-(4-ethenylcyclohexyl)cyclohexyl]methoxy]-4-methoxybenzene

1-[[4-(4-ethenylcyclohexyl)cyclohexyl]methoxy]-4-methoxybenzene (PubChem CID 141151529) has the molecular formula C22H32O2 and a molecular weight of 328.50 g/mol. Its IUPAC name is 1-[[4-(4-ethenylcyclohexyl)cyclohexyl]methoxy]-4-methoxybenzene.

Molecular Properties

Compound Name1-[[4-(4-ethenylcyclohexyl)cyclohexyl]methoxy]-4-methoxybenzene
PubChem CID141151529
Molecular FormulaC22H32O2
Molecular Weight328.50 g/mol
Exact Mass328.24
IUPAC Name1-[[4-(4-ethenylcyclohexyl)cyclohexyl]methoxy]-4-methoxybenzene
SMILESC=CC1CCC(C2CCC(COc3ccc(OC)cc3)CC2)CC1
InChIInChI=1S/C22H32O2/c1-3-17-4-8-19(9-5-17)20-10-6-18(7-11-20)16-24-22-14-12-21(23-2)13-15-22/h3,12-15,17-20H,1,4-11,16H2,2H3
InChIKeyJVARDHOTYJFGAR-UHFFFAOYSA-N
XLogP5.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.50
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(4-ethenylcyclohexyl)cyclohexyl]methoxy]-4-methoxybenzene?
The IUPAC name of 1-[[4-(4-ethenylcyclohexyl)cyclohexyl]methoxy]-4-methoxybenzene (CID 141151529) is 1-[[4-(4-ethenylcyclohexyl)cyclohexyl]methoxy]-4-methoxybenzene.
What is the SMILES notation for 1-[[4-(4-ethenylcyclohexyl)cyclohexyl]methoxy]-4-methoxybenzene?
The canonical SMILES for 1-[[4-(4-ethenylcyclohexyl)cyclohexyl]methoxy]-4-methoxybenzene is C=CC1CCC(C2CCC(COc3ccc(OC)cc3)CC2)CC1.
What is the InChIKey of 1-[[4-(4-ethenylcyclohexyl)cyclohexyl]methoxy]-4-methoxybenzene?
The InChIKey is JVARDHOTYJFGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32O2/c1-3-17-4-8-19(9-5-17)20-10-6-18(7-11-20)16-24-22-14-12-21(23-2)13-15-22/h3,12-15,17-20H,1,4-11,16H2,2H3.
What are the key properties of 1-[[4-(4-ethenylcyclohexyl)cyclohexyl]methoxy]-4-methoxybenzene?
1-[[4-(4-ethenylcyclohexyl)cyclohexyl]methoxy]-4-methoxybenzene has a molecular weight of 328.50 g/mol, XLogP of 5.87, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(4-ethenylcyclohexyl)cyclohexyl]methoxy]-4-methoxybenzene is sourced from PubChem (CID 141151529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).