1-[[4-(4-ethenylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-propoxybenzene

C24H34F2O2 — CID 89212424

IUPAC1-[[4-(4-ethenylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-propoxybenzene
SMILESC=CC1CCC(C2CCC(COc3ccc(OCCC)c(F)c3F)CC2)CC1
InChIInChI=1S/C24H34F2O2/c1-3-15-27-21-13-14-22(24(26)23(21)25)28-16-18-7-11-20(12-8-18)19-9-5-17(4-2)6-10-19/h4,13-14,17-20H,2-3,5-12,15-16H2,1H3
InChIKeySEJSVPHLPAJRGX-UHFFFAOYSA-N
MW392.53 g/mol
LogP6.93
Rot. Bonds8

About 1-[[4-(4-ethenylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-propoxybenzene

1-[[4-(4-ethenylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-propoxybenzene (PubChem CID 89212424) has the molecular formula C24H34F2O2 and a molecular weight of 392.53 g/mol. Its IUPAC name is 1-[[4-(4-ethenylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-propoxybenzene.

Molecular Properties

Compound Name1-[[4-(4-ethenylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-propoxybenzene
PubChem CID89212424
Molecular FormulaC24H34F2O2
Molecular Weight392.53 g/mol
Exact Mass392.25
IUPAC Name1-[[4-(4-ethenylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-propoxybenzene
SMILESC=CC1CCC(C2CCC(COc3ccc(OCCC)c(F)c3F)CC2)CC1
InChIInChI=1S/C24H34F2O2/c1-3-15-27-21-13-14-22(24(26)23(21)25)28-16-18-7-11-20(12-8-18)19-9-5-17(4-2)6-10-19/h4,13-14,17-20H,2-3,5-12,15-16H2,1H3
InChIKeySEJSVPHLPAJRGX-UHFFFAOYSA-N
XLogP6.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.53
LogP ≤ 56.93
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]-2,3-difluoro-4-propoxybenzene?
The IUPAC name of 1-[[4-(4-ethenylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-propoxybenzene (CID 89212424) is 1-[[4-(4-ethenylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-propoxybenzene.
What is the SMILES notation for 1-[[4-(4-ethenylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-propoxybenzene?
The canonical SMILES for 1-[[4-(4-ethenylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-propoxybenzene is C=CC1CCC(C2CCC(COc3ccc(OCCC)c(F)c3F)CC2)CC1.
What is the InChIKey of 1-[[4-(4-ethenylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-propoxybenzene?
The InChIKey is SEJSVPHLPAJRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34F2O2/c1-3-15-27-21-13-14-22(24(26)23(21)25)28-16-18-7-11-20(12-8-18)19-9-5-17(4-2)6-10-19/h4,13-14,17-20H,2-3,5-12,15-16H2,1H3.
What are the key properties of 1-[[4-(4-ethenylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-propoxybenzene?
1-[[4-(4-ethenylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-propoxybenzene has a molecular weight of 392.53 g/mol, XLogP of 6.93, 8 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]-2,3-difluoro-4-propoxybenzene is sourced from PubChem (CID 89212424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).