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

C23H25F3O — CID 19097889

IUPAC1-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]-4-[4-(trifluoromethyl)phenyl]benzene
SMILESCOC/C=C/C1CCC(c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)CC1
InChIInChI=1S/C23H25F3O/c1-27-16-2-3-17-4-6-18(7-5-17)19-8-10-20(11-9-19)21-12-14-22(15-13-21)23(24,25)26/h2-3,8-15,17-18H,4-7,16H2,1H3/b3-2+
InChIKeyMJVDULOMOCHTCT-NSCUHMNNSA-N
MW374.45 g/mol
LogP6.85
Rot. Bonds5

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

1-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]-4-[4-(trifluoromethyl)phenyl]benzene (PubChem CID 19097889) has the molecular formula C23H25F3O and a molecular weight of 374.45 g/mol. Its IUPAC name is 1-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]-4-[4-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name1-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]-4-[4-(trifluoromethyl)phenyl]benzene
PubChem CID19097889
Molecular FormulaC23H25F3O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name1-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]-4-[4-(trifluoromethyl)phenyl]benzene
SMILESCOC/C=C/C1CCC(c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)CC1
InChIInChI=1S/C23H25F3O/c1-27-16-2-3-17-4-6-18(7-5-17)19-8-10-20(11-9-19)21-12-14-22(15-13-21)23(24,25)26/h2-3,8-15,17-18H,4-7,16H2,1H3/b3-2+
InChIKeyMJVDULOMOCHTCT-NSCUHMNNSA-N
XLogP6.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.45
LogP ≤ 56.85
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-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]-4-[4-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 1-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]-4-[4-(trifluoromethyl)phenyl]benzene (CID 19097889) is 1-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]-4-[4-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 1-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]-4-[4-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 1-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]-4-[4-(trifluoromethyl)phenyl]benzene is COC/C=C/C1CCC(c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)CC1.
What is the InChIKey of 1-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]-4-[4-(trifluoromethyl)phenyl]benzene?
The InChIKey is MJVDULOMOCHTCT-NSCUHMNNSA-N. The full InChI is InChI=1S/C23H25F3O/c1-27-16-2-3-17-4-6-18(7-5-17)19-8-10-20(11-9-19)21-12-14-22(15-13-21)23(24,25)26/h2-3,8-15,17-18H,4-7,16H2,1H3/b3-2+.
What are the key properties of 1-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]-4-[4-(trifluoromethyl)phenyl]benzene?
1-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]-4-[4-(trifluoromethyl)phenyl]benzene has a molecular weight of 374.45 g/mol, XLogP of 6.85, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]-4-[4-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 19097889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).