1-[4-[4-(4-fluorobut-3-enyl)cyclohexyl]cyclohexyl]-4-methoxybenzene

C23H33FO — CID 57159621

IUPAC1-[4-[4-(4-fluorobut-3-enyl)cyclohexyl]cyclohexyl]-4-methoxybenzene
SMILESCOc1ccc(C2CCC(C3CCC(CCC=CF)CC3)CC2)cc1
InChIInChI=1S/C23H33FO/c1-25-23-15-13-22(14-16-23)21-11-9-20(10-12-21)19-7-5-18(6-8-19)4-2-3-17-24/h3,13-21H,2,4-12H2,1H3
InChIKeyUNKSUSJXCMLSFD-UHFFFAOYSA-N
MW344.51 g/mol
LogP7.04
Rot. Bonds6

About 1-[4-[4-(4-fluorobut-3-enyl)cyclohexyl]cyclohexyl]-4-methoxybenzene

1-[4-[4-(4-fluorobut-3-enyl)cyclohexyl]cyclohexyl]-4-methoxybenzene (PubChem CID 57159621) has the molecular formula C23H33FO and a molecular weight of 344.51 g/mol. Its IUPAC name is 1-[4-[4-(4-fluorobut-3-enyl)cyclohexyl]cyclohexyl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[4-[4-(4-fluorobut-3-enyl)cyclohexyl]cyclohexyl]-4-methoxybenzene
PubChem CID57159621
Molecular FormulaC23H33FO
Molecular Weight344.51 g/mol
Exact Mass344.25
IUPAC Name1-[4-[4-(4-fluorobut-3-enyl)cyclohexyl]cyclohexyl]-4-methoxybenzene
SMILESCOc1ccc(C2CCC(C3CCC(CCC=CF)CC3)CC2)cc1
InChIInChI=1S/C23H33FO/c1-25-23-15-13-22(14-16-23)21-11-9-20(10-12-21)19-7-5-18(6-8-19)4-2-3-17-24/h3,13-21H,2,4-12H2,1H3
InChIKeyUNKSUSJXCMLSFD-UHFFFAOYSA-N
XLogP7.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.51
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-[(E)-4-fluorobut-3-enyl]cyclohexyl]-4-propoxybenzene
CID 19780975
1-fluoro-4-[4-[(E)-4-fluorobut-3-enyl]cyclohexyl]benzene
CID 19798819
1-[4-[4-[(E)-4-fluorobut-3-enyl]cyclohexyl]cyclohexyl]-4-pentylbenzene
CID 19798733
1-[4-(4-fluorobut-3-enyl)cyclohexyl]-4-propylbenzene
CID 54484505
2-[4-(4-methoxyphenyl)cyclohexyl]ethanol
CID 121318753
1-fluoro-4-[4-[4-[(E)-8-fluorooct-7-enyl]cyclohexyl]cyclohexyl]benzene
CID 19781034
1-[4-(4-butylcyclohexyl)cyclohexyl]-4-methoxybenzene;1-methoxy-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 144714458
2-fluoro-1-[4-[4-(4-fluorobut-3-enyl)cyclohexyl]phenyl]-4-(6-methoxyhexoxy)benzene
CID 123452101
(4-methoxyphenyl) 4-[6-[(E)-pent-3-enyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]benzoate
CID 139869709
1-[4-[(E)-4-fluorobut-3-enyl]cyclohexyl]-4-(4-pentylphenyl)benzene
CID 19798695
2-[4-[4-(6,6-difluorohex-3-enyl)cyclohexyl]cyclohexyl]-4-methoxy-1-methylbenzene
CID 54517006
1-fluoro-4-[4-[(E)-8-fluorooct-7-enyl]cyclohexyl]benzene
CID 19780950

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(4-fluorobut-3-enyl)cyclohexyl]cyclohexyl]-4-methoxybenzene?
The IUPAC name of 1-[4-[4-(4-fluorobut-3-enyl)cyclohexyl]cyclohexyl]-4-methoxybenzene (CID 57159621) is 1-[4-[4-(4-fluorobut-3-enyl)cyclohexyl]cyclohexyl]-4-methoxybenzene.
What is the SMILES notation for 1-[4-[4-(4-fluorobut-3-enyl)cyclohexyl]cyclohexyl]-4-methoxybenzene?
The canonical SMILES for 1-[4-[4-(4-fluorobut-3-enyl)cyclohexyl]cyclohexyl]-4-methoxybenzene is COc1ccc(C2CCC(C3CCC(CCC=CF)CC3)CC2)cc1.
What is the InChIKey of 1-[4-[4-(4-fluorobut-3-enyl)cyclohexyl]cyclohexyl]-4-methoxybenzene?
The InChIKey is UNKSUSJXCMLSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33FO/c1-25-23-15-13-22(14-16-23)21-11-9-20(10-12-21)19-7-5-18(6-8-19)4-2-3-17-24/h3,13-21H,2,4-12H2,1H3.
What are the key properties of 1-[4-[4-(4-fluorobut-3-enyl)cyclohexyl]cyclohexyl]-4-methoxybenzene?
1-[4-[4-(4-fluorobut-3-enyl)cyclohexyl]cyclohexyl]-4-methoxybenzene has a molecular weight of 344.51 g/mol, XLogP of 7.04, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(4-fluorobut-3-enyl)cyclohexyl]cyclohexyl]-4-methoxybenzene is sourced from PubChem (CID 57159621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).