1-[2-(4-butoxycyclohexyl)ethenyl]-4-(difluoromethoxy)benzene

C19H26F2O2 — CID 54255138

IUPAC1-[2-(4-butoxycyclohexyl)ethenyl]-4-(difluoromethoxy)benzene
SMILESCCCCOC1CCC(C=Cc2ccc(OC(F)F)cc2)CC1
InChIInChI=1S/C19H26F2O2/c1-2-3-14-22-17-10-6-15(7-11-17)4-5-16-8-12-18(13-9-16)23-19(20)21/h4-5,8-9,12-13,15,17,19H,2-3,6-7,10-11,14H2,1H3
InChIKeyQZMQBHZXFCLYSL-UHFFFAOYSA-N
MW324.41 g/mol
LogP5.68
Rot. Bonds8

About 1-[2-(4-butoxycyclohexyl)ethenyl]-4-(difluoromethoxy)benzene

1-[2-(4-butoxycyclohexyl)ethenyl]-4-(difluoromethoxy)benzene (PubChem CID 54255138) has the molecular formula C19H26F2O2 and a molecular weight of 324.41 g/mol. Its IUPAC name is 1-[2-(4-butoxycyclohexyl)ethenyl]-4-(difluoromethoxy)benzene.

Molecular Properties

Compound Name1-[2-(4-butoxycyclohexyl)ethenyl]-4-(difluoromethoxy)benzene
PubChem CID54255138
Molecular FormulaC19H26F2O2
Molecular Weight324.41 g/mol
Exact Mass324.19
IUPAC Name1-[2-(4-butoxycyclohexyl)ethenyl]-4-(difluoromethoxy)benzene
SMILESCCCCOC1CCC(C=Cc2ccc(OC(F)F)cc2)CC1
InChIInChI=1S/C19H26F2O2/c1-2-3-14-22-17-10-6-15(7-11-17)4-5-16-8-12-18(13-9-16)23-19(20)21/h4-5,8-9,12-13,15,17,19H,2-3,6-7,10-11,14H2,1H3
InChIKeyQZMQBHZXFCLYSL-UHFFFAOYSA-N
XLogP5.68
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 ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(difluoromethoxy)-4-[2-(4-heptoxycyclohexyl)ethenyl]benzene
CID 54015791
1-[2-(4-decoxycyclohexyl)ethenyl]-4-(difluoromethoxy)benzene
CID 54331171
2-butoxy-6-[4-(difluoromethoxy)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139865676
1-(4-butoxycyclohexyl)-4-[(E)-2-[4-(4-butoxy-2-fluorophenyl)cyclohexyl]ethenyl]-2,3-difluorobenzene
CID 89429642
1-(4-butoxycyclohexyl)-4-[4-[(E)-2-(4-ethoxy-2-fluorophenyl)ethenyl]cyclohexyl]-2,3-difluorobenzene
CID 89430582
1-butoxy-4-[4-[(E)-2-[4-(4-butoxycyclohexyl)-2,3-difluorophenyl]ethenyl]cyclohexyl]-2,3-difluorobenzene
CID 89429620
1-butoxy-4-[4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]cyclohexyl]cyclohexane
CID 130414741
2-[(E)-2-[4-(difluoromethoxy)phenyl]ethenyl]piperidine
CID 113443105
(4-propylphenyl) 4-[(E)-2-[4-(4-propoxycyclohexyl)cyclohexyl]ethenyl]benzoate
CID 20717280
1-butoxy-4-[4-[4-[(E)-2-(4-ethenylcyclohexyl)ethenyl]cyclohexyl]cyclohexyl]cyclohexane
CID 130414711
1-butoxy-4-(4-hex-1-enylcyclohexyl)cyclohexane
CID 57181103
1-[(Z)-2-(4-fluoro-4-pentylcyclohexyl)ethenyl]-4-methoxybenzene
CID 67899019

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-butoxycyclohexyl)ethenyl]-4-(difluoromethoxy)benzene?
The IUPAC name of 1-[2-(4-butoxycyclohexyl)ethenyl]-4-(difluoromethoxy)benzene (CID 54255138) is 1-[2-(4-butoxycyclohexyl)ethenyl]-4-(difluoromethoxy)benzene.
What is the SMILES notation for 1-[2-(4-butoxycyclohexyl)ethenyl]-4-(difluoromethoxy)benzene?
The canonical SMILES for 1-[2-(4-butoxycyclohexyl)ethenyl]-4-(difluoromethoxy)benzene is CCCCOC1CCC(C=Cc2ccc(OC(F)F)cc2)CC1.
What is the InChIKey of 1-[2-(4-butoxycyclohexyl)ethenyl]-4-(difluoromethoxy)benzene?
The InChIKey is QZMQBHZXFCLYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F2O2/c1-2-3-14-22-17-10-6-15(7-11-17)4-5-16-8-12-18(13-9-16)23-19(20)21/h4-5,8-9,12-13,15,17,19H,2-3,6-7,10-11,14H2,1H3.
What are the key properties of 1-[2-(4-butoxycyclohexyl)ethenyl]-4-(difluoromethoxy)benzene?
1-[2-(4-butoxycyclohexyl)ethenyl]-4-(difluoromethoxy)benzene has a molecular weight of 324.41 g/mol, XLogP of 5.68, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-butoxycyclohexyl)ethenyl]-4-(difluoromethoxy)benzene is sourced from PubChem (CID 54255138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).