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

C22H25FO — CID 19780966

IUPAC1-[4-[(E)-2-fluoroethenyl]cyclohexyl]-4-[4-(methoxymethyl)phenyl]benzene
SMILESCOCc1ccc(-c2ccc(C3CCC(/C=C/F)CC3)cc2)cc1
InChIInChI=1S/C22H25FO/c1-24-16-18-4-8-20(9-5-18)22-12-10-21(11-13-22)19-6-2-17(3-7-19)14-15-23/h4-5,8-15,17,19H,2-3,6-7,16H2,1H3/b15-14+
InChIKeyLXWBEDUXTNWXRV-CCEZHUSRSA-N
MW324.44 g/mol
LogP6.26
Rot. Bonds5

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

1-[4-[(E)-2-fluoroethenyl]cyclohexyl]-4-[4-(methoxymethyl)phenyl]benzene (PubChem CID 19780966) has the molecular formula C22H25FO and a molecular weight of 324.44 g/mol. Its IUPAC name is 1-[4-[(E)-2-fluoroethenyl]cyclohexyl]-4-[4-(methoxymethyl)phenyl]benzene.

Molecular Properties

Compound Name1-[4-[(E)-2-fluoroethenyl]cyclohexyl]-4-[4-(methoxymethyl)phenyl]benzene
PubChem CID19780966
Molecular FormulaC22H25FO
Molecular Weight324.44 g/mol
Exact Mass324.19
IUPAC Name1-[4-[(E)-2-fluoroethenyl]cyclohexyl]-4-[4-(methoxymethyl)phenyl]benzene
SMILESCOCc1ccc(-c2ccc(C3CCC(/C=C/F)CC3)cc2)cc1
InChIInChI=1S/C22H25FO/c1-24-16-18-4-8-20(9-5-18)22-12-10-21(11-13-22)19-6-2-17(3-7-19)14-15-23/h4-5,8-15,17,19H,2-3,6-7,16H2,1H3/b15-14+
InChIKeyLXWBEDUXTNWXRV-CCEZHUSRSA-N
XLogP6.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.44
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethyl-4-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]phenyl]benzene
CID 19780938
1-[4-(2-fluoroethenyl)cyclohexyl]-4-(4-hexylphenyl)benzene
CID 67859483
1-butoxy-4-[4-[4-(2-fluoroethenyl)cyclohexyl]phenyl]benzene
CID 67859342
1-ethyl-4-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]cyclohexyl]benzene
CID 19798836
1-butyl-4-[4-[(E)-2-fluoroethenyl]cyclohexyl]benzene
CID 19798870
1,2-difluoro-4-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]phenyl]benzene
CID 19798866
1-[4-[4-(2-fluoroethenyl)cyclohexyl]cyclohexyl]-4-propylbenzene
CID 67859284
1-[4-[(E)-2-fluoroethenyl]cyclohexyl]-4-pentylbenzene
CID 19798701
2-[4-[(E)-2-chloroethenyl]cyclohexyl]-5-[4-(methoxymethyl)phenyl]pyrimidine
CID 18656291
1-(pent-4-ynoxymethyl)-4-[4-(4-prop-1-enylcyclohexyl)phenyl]benzene
CID 54444339
2-[4-[(E)-2-chloroethenyl]cyclohexyl]-5-[4-(methoxymethyl)phenyl]-1,3-dioxane
CID 18656338
1-[4-[2-[4-(6-fluorohex-3-enyl)cyclohexyl]ethyl]cyclohexyl]-4-(methoxymethyl)benzene
CID 67590685

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(E)-2-fluoroethenyl]cyclohexyl]-4-[4-(methoxymethyl)phenyl]benzene?
The IUPAC name of 1-[4-[(E)-2-fluoroethenyl]cyclohexyl]-4-[4-(methoxymethyl)phenyl]benzene (CID 19780966) is 1-[4-[(E)-2-fluoroethenyl]cyclohexyl]-4-[4-(methoxymethyl)phenyl]benzene.
What is the SMILES notation for 1-[4-[(E)-2-fluoroethenyl]cyclohexyl]-4-[4-(methoxymethyl)phenyl]benzene?
The canonical SMILES for 1-[4-[(E)-2-fluoroethenyl]cyclohexyl]-4-[4-(methoxymethyl)phenyl]benzene is COCc1ccc(-c2ccc(C3CCC(/C=C/F)CC3)cc2)cc1.
What is the InChIKey of 1-[4-[(E)-2-fluoroethenyl]cyclohexyl]-4-[4-(methoxymethyl)phenyl]benzene?
The InChIKey is LXWBEDUXTNWXRV-CCEZHUSRSA-N. The full InChI is InChI=1S/C22H25FO/c1-24-16-18-4-8-20(9-5-18)22-12-10-21(11-13-22)19-6-2-17(3-7-19)14-15-23/h4-5,8-15,17,19H,2-3,6-7,16H2,1H3/b15-14+.
What are the key properties of 1-[4-[(E)-2-fluoroethenyl]cyclohexyl]-4-[4-(methoxymethyl)phenyl]benzene?
1-[4-[(E)-2-fluoroethenyl]cyclohexyl]-4-[4-(methoxymethyl)phenyl]benzene has a molecular weight of 324.44 g/mol, XLogP of 6.26, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(E)-2-fluoroethenyl]cyclohexyl]-4-[4-(methoxymethyl)phenyl]benzene is sourced from PubChem (CID 19780966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).