1-butoxy-4-[4-[4-(2-fluoroethenyl)cyclohexyl]phenyl]benzene

C24H29FO — CID 67859342

IUPAC1-butoxy-4-[4-[4-(2-fluoroethenyl)cyclohexyl]phenyl]benzene
SMILESCCCCOc1ccc(-c2ccc(C3CCC(C=CF)CC3)cc2)cc1
InChIInChI=1S/C24H29FO/c1-2-3-18-26-24-14-12-23(13-15-24)22-10-8-21(9-11-22)20-6-4-19(5-7-20)16-17-25/h8-17,19-20H,2-7,18H2,1H3
InChIKeyFTIAPDRNRHLBPS-UHFFFAOYSA-N
MW352.49 g/mol
LogP7.29
Rot. Bonds7

About 1-butoxy-4-[4-[4-(2-fluoroethenyl)cyclohexyl]phenyl]benzene

1-butoxy-4-[4-[4-(2-fluoroethenyl)cyclohexyl]phenyl]benzene (PubChem CID 67859342) has the molecular formula C24H29FO and a molecular weight of 352.49 g/mol. Its IUPAC name is 1-butoxy-4-[4-[4-(2-fluoroethenyl)cyclohexyl]phenyl]benzene.

Molecular Properties

Compound Name1-butoxy-4-[4-[4-(2-fluoroethenyl)cyclohexyl]phenyl]benzene
PubChem CID67859342
Molecular FormulaC24H29FO
Molecular Weight352.49 g/mol
Exact Mass352.22
IUPAC Name1-butoxy-4-[4-[4-(2-fluoroethenyl)cyclohexyl]phenyl]benzene
SMILESCCCCOc1ccc(-c2ccc(C3CCC(C=CF)CC3)cc2)cc1
InChIInChI=1S/C24H29FO/c1-2-3-18-26-24-14-12-23(13-15-24)22-10-8-21(9-11-22)20-6-4-19(5-7-20)16-17-25/h8-17,19-20H,2-7,18H2,1H3
InChIKeyFTIAPDRNRHLBPS-UHFFFAOYSA-N
XLogP7.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.49
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]cyclohexyl]-4-pentoxybenzene
CID 19798776
1-[4-[4-(2-fluoroethenyl)cyclohexyl]cyclohexyl]-4-hexoxybenzene
CID 67859212
1-[4-(2-fluoroethenyl)cyclohexyl]-4-(4-hexylphenyl)benzene
CID 67859483
1-ethyl-4-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]phenyl]benzene
CID 19780938
1-butoxy-4-[4-[4-(difluoromethyl)cyclohexyl]phenyl]benzene
CID 19436543
1-butyl-4-[4-[(E)-2-fluoroethenyl]cyclohexyl]benzene
CID 19798870
1-[4-[(E)-2-fluoroethenyl]cyclohexyl]-4-pentylbenzene
CID 19798701
1-[4-[(E)-2-fluoroethenyl]cyclohexyl]-4-[4-(methoxymethyl)phenyl]benzene
CID 19780966
1-(4-nonylcyclohexyl)-4-(4-pentoxyphenyl)benzene
CID 20539126
1-octoxy-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20538876
1-(4-heptylcyclohexyl)-4-(4-pentoxyphenyl)benzene
CID 20539032
1-(4-hexylcyclohexyl)-4-(4-octoxyphenyl)benzene
CID 20539136

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-4-[4-[4-(2-fluoroethenyl)cyclohexyl]phenyl]benzene?
The IUPAC name of 1-butoxy-4-[4-[4-(2-fluoroethenyl)cyclohexyl]phenyl]benzene (CID 67859342) is 1-butoxy-4-[4-[4-(2-fluoroethenyl)cyclohexyl]phenyl]benzene.
What is the SMILES notation for 1-butoxy-4-[4-[4-(2-fluoroethenyl)cyclohexyl]phenyl]benzene?
The canonical SMILES for 1-butoxy-4-[4-[4-(2-fluoroethenyl)cyclohexyl]phenyl]benzene is CCCCOc1ccc(-c2ccc(C3CCC(C=CF)CC3)cc2)cc1.
What is the InChIKey of 1-butoxy-4-[4-[4-(2-fluoroethenyl)cyclohexyl]phenyl]benzene?
The InChIKey is FTIAPDRNRHLBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FO/c1-2-3-18-26-24-14-12-23(13-15-24)22-10-8-21(9-11-22)20-6-4-19(5-7-20)16-17-25/h8-17,19-20H,2-7,18H2,1H3.
What are the key properties of 1-butoxy-4-[4-[4-(2-fluoroethenyl)cyclohexyl]phenyl]benzene?
1-butoxy-4-[4-[4-(2-fluoroethenyl)cyclohexyl]phenyl]benzene has a molecular weight of 352.49 g/mol, XLogP of 7.29, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-4-[4-[4-(2-fluoroethenyl)cyclohexyl]phenyl]benzene is sourced from PubChem (CID 67859342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).