1-[[4-(4-ethenylcyclohexyl)cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene

C23H32F2O2 — CID 59203780

IUPAC1-[[4-(4-ethenylcyclohexyl)cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene
SMILESC=CC1CCC(C2CCC(COc3ccc(OCC)c(F)c3F)CC2)CC1
InChIInChI=1S/C23H32F2O2/c1-3-16-5-9-18(10-6-16)19-11-7-17(8-12-19)15-27-21-14-13-20(26-4-2)22(24)23(21)25/h3,13-14,16-19H,1,4-12,15H2,2H3
InChIKeyIKUNIIGRTSFBLX-UHFFFAOYSA-N
MW378.50 g/mol
LogP6.54
Rot. Bonds7

About 1-[[4-(4-ethenylcyclohexyl)cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene

1-[[4-(4-ethenylcyclohexyl)cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene (PubChem CID 59203780) has the molecular formula C23H32F2O2 and a molecular weight of 378.50 g/mol. Its IUPAC name is 1-[[4-(4-ethenylcyclohexyl)cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene.

Molecular Properties

Compound Name1-[[4-(4-ethenylcyclohexyl)cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene
PubChem CID59203780
Molecular FormulaC23H32F2O2
Molecular Weight378.50 g/mol
Exact Mass378.24
IUPAC Name1-[[4-(4-ethenylcyclohexyl)cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene
SMILESC=CC1CCC(C2CCC(COc3ccc(OCC)c(F)c3F)CC2)CC1
InChIInChI=1S/C23H32F2O2/c1-3-16-5-9-18(10-6-16)19-11-7-17(8-12-19)15-27-21-14-13-20(26-4-2)22(24)23(21)25/h3,13-14,16-19H,1,4-12,15H2,2H3
InChIKeyIKUNIIGRTSFBLX-UHFFFAOYSA-N
XLogP6.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.50
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[[4-(4-ethenylcyclohexyl)cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(4-ethenylcyclohexyl)cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene?
The IUPAC name of 1-[[4-(4-ethenylcyclohexyl)cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene (CID 59203780) is 1-[[4-(4-ethenylcyclohexyl)cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene.
What is the SMILES notation for 1-[[4-(4-ethenylcyclohexyl)cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene?
The canonical SMILES for 1-[[4-(4-ethenylcyclohexyl)cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene is C=CC1CCC(C2CCC(COc3ccc(OCC)c(F)c3F)CC2)CC1.
What is the InChIKey of 1-[[4-(4-ethenylcyclohexyl)cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene?
The InChIKey is IKUNIIGRTSFBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32F2O2/c1-3-16-5-9-18(10-6-16)19-11-7-17(8-12-19)15-27-21-14-13-20(26-4-2)22(24)23(21)25/h3,13-14,16-19H,1,4-12,15H2,2H3.
What are the key properties of 1-[[4-(4-ethenylcyclohexyl)cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene?
1-[[4-(4-ethenylcyclohexyl)cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene has a molecular weight of 378.50 g/mol, XLogP of 6.54, 7 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-ethoxy-2,3-difluorobenzene is sourced from PubChem (CID 59203780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).