1-[(E)-but-2-enoxy]-2,3-difluoro-4-[(E)-4-[4-[(E)-prop-1-enyl]cyclohexyl]but-3-enyl]benzene

C23H30F2O — CID 118886029

IUPAC1-[(E)-but-2-enoxy]-2,3-difluoro-4-[(E)-4-[4-[(E)-prop-1-enyl]cyclohexyl]but-3-enyl]benzene
SMILESC/C=C/COc1ccc(CC/C=C/C2CCC(/C=C/C)CC2)c(F)c1F
InChIInChI=1S/C23H30F2O/c1-3-5-17-26-21-16-15-20(22(24)23(21)25)10-7-6-9-19-13-11-18(8-4-2)12-14-19/h3-6,8-9,15-16,18-19H,7,10-14,17H2,1-2H3/b5-3+,8-4+,9-6+
InChIKeyJVQPMIOASMZCMH-UVMBBVGVSA-N
MW360.49 g/mol
LogP6.79
Rot. Bonds8

About 1-[(E)-but-2-enoxy]-2,3-difluoro-4-[(E)-4-[4-[(E)-prop-1-enyl]cyclohexyl]but-3-enyl]benzene

1-[(E)-but-2-enoxy]-2,3-difluoro-4-[(E)-4-[4-[(E)-prop-1-enyl]cyclohexyl]but-3-enyl]benzene (PubChem CID 118886029) has the molecular formula C23H30F2O and a molecular weight of 360.49 g/mol. Its IUPAC name is 1-[(E)-but-2-enoxy]-2,3-difluoro-4-[(E)-4-[4-[(E)-prop-1-enyl]cyclohexyl]but-3-enyl]benzene.

Molecular Properties

Compound Name1-[(E)-but-2-enoxy]-2,3-difluoro-4-[(E)-4-[4-[(E)-prop-1-enyl]cyclohexyl]but-3-enyl]benzene
PubChem CID118886029
Molecular FormulaC23H30F2O
Molecular Weight360.49 g/mol
Exact Mass360.23
IUPAC Name1-[(E)-but-2-enoxy]-2,3-difluoro-4-[(E)-4-[4-[(E)-prop-1-enyl]cyclohexyl]but-3-enyl]benzene
SMILESC/C=C/COc1ccc(CC/C=C/C2CCC(/C=C/C)CC2)c(F)c1F
InChIInChI=1S/C23H30F2O/c1-3-5-17-26-21-16-15-20(22(24)23(21)25)10-7-6-9-19-13-11-18(8-4-2)12-14-19/h3-6,8-9,15-16,18-19H,7,10-14,17H2,1-2H3/b5-3+,8-4+,9-6+
InChIKeyJVQPMIOASMZCMH-UVMBBVGVSA-N
XLogP6.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.49
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-ethoxy-2,3-difluoro-4-[2-[2-fluoro-4-[(E)-4-[4-[(E)-prop-1-enyl]cyclohexyl]but-3-enyl]phenyl]ethyl]benzene
CID 118886096
1-(cyclobutylmethoxy)-4-[(E)-4-cyclopropylbut-3-enyl]-2,3-difluorobenzene
CID 153282251
1-[2,3-difluoro-4-[(E)-4-(4-propylcyclohexyl)but-3-enyl]phenyl]-4-ethoxy-2,3-difluorobenzene
CID 118886065
1-(cyclobutylmethoxy)-4-[(E)-4-cyclopentylbut-3-enyl]-2,3-difluorobenzene
CID 153282642
1-but-3-enyl-4-[4-[4-(4-ethoxy-2,3-difluorophenyl)but-1-enyl]cyclohexyl]-2,3-difluorobenzene
CID 77417200
1-[(E)-4-[4-(2,3-difluorophenyl)cyclohexyl]but-3-enyl]-4-ethoxy-2,3-difluorobenzene
CID 163654172
1-[(E)-4-cyclobutylbut-3-enyl]-4-cyclopentyloxy-2,3-difluorobenzene
CID 147649188
7-[(E)-but-2-enoxy]-1,2,8-trifluoro-3-[4-[(E)-prop-1-enyl]cyclohexyl]naphthalene
CID 139860747
1-[2-[4-[2,3-difluoro-4-(4-prop-1-enylcyclohexyl)phenyl]cyclohexyl]ethyl]-4-ethoxy-2,3-difluorobenzene
CID 77470994
1-ethoxy-2,3-difluoro-4-[[4-[(E)-4-(4-methylcyclohexyl)but-3-enyl]phenoxy]methyl]benzene
CID 118888339
1-butoxy-2,3-difluoro-4-[4-[4-(4-pentylcyclohex-3-en-1-yl)cyclohexyl]but-3-enyl]benzene
CID 77417175
2-but-2-enoxy-1-fluoro-6-[2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]ethyl]naphthalene
CID 139862289

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-2-enoxy]-2,3-difluoro-4-[(E)-4-[4-[(E)-prop-1-enyl]cyclohexyl]but-3-enyl]benzene?
The IUPAC name of 1-[(E)-but-2-enoxy]-2,3-difluoro-4-[(E)-4-[4-[(E)-prop-1-enyl]cyclohexyl]but-3-enyl]benzene (CID 118886029) is 1-[(E)-but-2-enoxy]-2,3-difluoro-4-[(E)-4-[4-[(E)-prop-1-enyl]cyclohexyl]but-3-enyl]benzene.
What is the SMILES notation for 1-[(E)-but-2-enoxy]-2,3-difluoro-4-[(E)-4-[4-[(E)-prop-1-enyl]cyclohexyl]but-3-enyl]benzene?
The canonical SMILES for 1-[(E)-but-2-enoxy]-2,3-difluoro-4-[(E)-4-[4-[(E)-prop-1-enyl]cyclohexyl]but-3-enyl]benzene is C/C=C/COc1ccc(CC/C=C/C2CCC(/C=C/C)CC2)c(F)c1F.
What is the InChIKey of 1-[(E)-but-2-enoxy]-2,3-difluoro-4-[(E)-4-[4-[(E)-prop-1-enyl]cyclohexyl]but-3-enyl]benzene?
The InChIKey is JVQPMIOASMZCMH-UVMBBVGVSA-N. The full InChI is InChI=1S/C23H30F2O/c1-3-5-17-26-21-16-15-20(22(24)23(21)25)10-7-6-9-19-13-11-18(8-4-2)12-14-19/h3-6,8-9,15-16,18-19H,7,10-14,17H2,1-2H3/b5-3+,8-4+,9-6+.
What are the key properties of 1-[(E)-but-2-enoxy]-2,3-difluoro-4-[(E)-4-[4-[(E)-prop-1-enyl]cyclohexyl]but-3-enyl]benzene?
1-[(E)-but-2-enoxy]-2,3-difluoro-4-[(E)-4-[4-[(E)-prop-1-enyl]cyclohexyl]but-3-enyl]benzene has a molecular weight of 360.49 g/mol, XLogP of 6.79, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-enoxy]-2,3-difluoro-4-[(E)-4-[4-[(E)-prop-1-enyl]cyclohexyl]but-3-enyl]benzene is sourced from PubChem (CID 118886029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).