1-[(4-but-3-enylcyclohexyl)methoxy]-4-ethoxy-2,3-difluorobenzene

C19H26F2O2 — CID 59203793

IUPAC1-[(4-but-3-enylcyclohexyl)methoxy]-4-ethoxy-2,3-difluorobenzene
SMILESC=CCCC1CCC(COc2ccc(OCC)c(F)c2F)CC1
InChIInChI=1S/C19H26F2O2/c1-3-5-6-14-7-9-15(10-8-14)13-23-17-12-11-16(22-4-2)18(20)19(17)21/h3,11-12,14-15H,1,4-10,13H2,2H3
InChIKeyGZUNTHIEKFMEEV-UHFFFAOYSA-N
MW324.41 g/mol
LogP5.51
Rot. Bonds8

About 1-[(4-but-3-enylcyclohexyl)methoxy]-4-ethoxy-2,3-difluorobenzene

1-[(4-but-3-enylcyclohexyl)methoxy]-4-ethoxy-2,3-difluorobenzene (PubChem CID 59203793) has the molecular formula C19H26F2O2 and a molecular weight of 324.41 g/mol. Its IUPAC name is 1-[(4-but-3-enylcyclohexyl)methoxy]-4-ethoxy-2,3-difluorobenzene.

Molecular Properties

Compound Name1-[(4-but-3-enylcyclohexyl)methoxy]-4-ethoxy-2,3-difluorobenzene
PubChem CID59203793
Molecular FormulaC19H26F2O2
Molecular Weight324.41 g/mol
Exact Mass324.19
IUPAC Name1-[(4-but-3-enylcyclohexyl)methoxy]-4-ethoxy-2,3-difluorobenzene
SMILESC=CCCC1CCC(COc2ccc(OCC)c(F)c2F)CC1
InChIInChI=1S/C19H26F2O2/c1-3-5-6-14-7-9-15(10-8-14)13-23-17-12-11-16(22-4-2)18(20)19(17)21/h3,11-12,14-15H,1,4-10,13H2,2H3
InChIKeyGZUNTHIEKFMEEV-UHFFFAOYSA-N
XLogP5.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.41
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(4-but-3-enylcyclohexyl)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

Related Compounds

1-[[4-[4-(4-but-3-enylcyclohexyl)phenyl]cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene
CID 154607274
4-but-3-enyl-7-(4-ethoxy-2,3-difluorophenyl)bicyclo[4.1.0]hept-1(7)-ene
CID 143612374
7-(4-but-3-enylcyclohexyl)-3-ethoxy-1,2-difluoronaphthalene
CID 139860599
4-[4-[4-(4-but-3-enylcyclohexyl)phenyl]phenyl]-1-ethoxy-2-fluorobenzene
CID 138459506
1-ethoxy-2,3-difluoro-4-[[4-[4-(4-propylcyclohexyl)phenyl]cyclohexyl]methoxy]benzene
CID 154607154
4-[[2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]phenoxy]methyl]cyclohexane-1-carbaldehyde
CID 102522412
5-but-3-enyl-2-[4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-2,3-difluorophenyl]oxane
CID 67733051
1-[4-[4-[(E)-4-(4-but-3-enylcyclohexyl)but-3-enyl]cyclohexyl]phenyl]-4-ethoxy-2,3-difluorobenzene
CID 118886192
5-(4-but-3-enylcyclohexyl)-2-[4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]phenyl]oxane
CID 58021175
(7-ethoxy-1,8,9,9,10,10-hexafluorophenanthren-2-yl) 4-but-3-enylcyclohexane-1-carboxylate
CID 88552692
1-ethoxy-2,3-difluoro-4-[[4-(3-methoxyprop-1-enyl)cyclohexyl]methoxy]benzene
CID 67822338
4-[4-[4-(4-but-3-enylcyclohexyl)cyclohexyl]phenyl]-1-ethoxy-2-fluorobenzene
CID 138459502

Frequently Asked Questions

What is the IUPAC name of 1-[(4-but-3-enylcyclohexyl)methoxy]-4-ethoxy-2,3-difluorobenzene?
The IUPAC name of 1-[(4-but-3-enylcyclohexyl)methoxy]-4-ethoxy-2,3-difluorobenzene (CID 59203793) is 1-[(4-but-3-enylcyclohexyl)methoxy]-4-ethoxy-2,3-difluorobenzene.
What is the SMILES notation for 1-[(4-but-3-enylcyclohexyl)methoxy]-4-ethoxy-2,3-difluorobenzene?
The canonical SMILES for 1-[(4-but-3-enylcyclohexyl)methoxy]-4-ethoxy-2,3-difluorobenzene is C=CCCC1CCC(COc2ccc(OCC)c(F)c2F)CC1.
What is the InChIKey of 1-[(4-but-3-enylcyclohexyl)methoxy]-4-ethoxy-2,3-difluorobenzene?
The InChIKey is GZUNTHIEKFMEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F2O2/c1-3-5-6-14-7-9-15(10-8-14)13-23-17-12-11-16(22-4-2)18(20)19(17)21/h3,11-12,14-15H,1,4-10,13H2,2H3.
What are the key properties of 1-[(4-but-3-enylcyclohexyl)methoxy]-4-ethoxy-2,3-difluorobenzene?
1-[(4-but-3-enylcyclohexyl)methoxy]-4-ethoxy-2,3-difluorobenzene has a molecular weight of 324.41 g/mol, XLogP of 5.51, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-but-3-enylcyclohexyl)methoxy]-4-ethoxy-2,3-difluorobenzene is sourced from PubChem (CID 59203793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).