1-fluoro-4-[4-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]phenyl]benzene

C22H25FO — CID 19097884

IUPAC1-fluoro-4-[4-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]phenyl]benzene
SMILESCOC/C=C/C1CCC(c2ccc(-c3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C22H25FO/c1-24-16-2-3-17-4-6-18(7-5-17)19-8-10-20(11-9-19)21-12-14-22(23)15-13-21/h2-3,8-15,17-18H,4-7,16H2,1H3/b3-2+
InChIKeyJWEXNDSOJZDQKY-NSCUHMNNSA-N
MW324.44 g/mol
LogP5.97
Rot. Bonds5

About 1-fluoro-4-[4-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]phenyl]benzene

1-fluoro-4-[4-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]phenyl]benzene (PubChem CID 19097884) has the molecular formula C22H25FO and a molecular weight of 324.44 g/mol. Its IUPAC name is 1-fluoro-4-[4-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]phenyl]benzene.

Molecular Properties

Compound Name1-fluoro-4-[4-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]phenyl]benzene
PubChem CID19097884
Molecular FormulaC22H25FO
Molecular Weight324.44 g/mol
Exact Mass324.19
IUPAC Name1-fluoro-4-[4-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]phenyl]benzene
SMILESCOC/C=C/C1CCC(c2ccc(-c3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C22H25FO/c1-24-16-2-3-17-4-6-18(7-5-17)19-8-10-20(11-9-19)21-12-14-22(23)15-13-21/h2-3,8-15,17-18H,4-7,16H2,1H3/b3-2+
InChIKeyJWEXNDSOJZDQKY-NSCUHMNNSA-N
XLogP5.97
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 ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[4-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]phenyl]benzene?
The IUPAC name of 1-fluoro-4-[4-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]phenyl]benzene (CID 19097884) is 1-fluoro-4-[4-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]phenyl]benzene.
What is the SMILES notation for 1-fluoro-4-[4-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]phenyl]benzene?
The canonical SMILES for 1-fluoro-4-[4-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]phenyl]benzene is COC/C=C/C1CCC(c2ccc(-c3ccc(F)cc3)cc2)CC1.
What is the InChIKey of 1-fluoro-4-[4-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]phenyl]benzene?
The InChIKey is JWEXNDSOJZDQKY-NSCUHMNNSA-N. The full InChI is InChI=1S/C22H25FO/c1-24-16-2-3-17-4-6-18(7-5-17)19-8-10-20(11-9-19)21-12-14-22(23)15-13-21/h2-3,8-15,17-18H,4-7,16H2,1H3/b3-2+.
What are the key properties of 1-fluoro-4-[4-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]phenyl]benzene?
1-fluoro-4-[4-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]phenyl]benzene has a molecular weight of 324.44 g/mol, XLogP of 5.97, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[4-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]phenyl]benzene is sourced from PubChem (CID 19097884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).