1-[2-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]ethyl]-4-(trifluoromethyl)benzene

C19H25F3O — CID 19097933

IUPAC1-[2-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]ethyl]-4-(trifluoromethyl)benzene
SMILESCOC/C=C/C1CCC(CCc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C19H25F3O/c1-23-14-2-3-15-4-6-16(7-5-15)8-9-17-10-12-18(13-11-17)19(20,21)22/h2-3,10-13,15-16H,4-9,14H2,1H3/b3-2+
InChIKeyYADKQNGAPQHYAN-NSCUHMNNSA-N
MW326.40 g/mol
LogP5.65
Rot. Bonds6

About 1-[2-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]ethyl]-4-(trifluoromethyl)benzene

1-[2-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]ethyl]-4-(trifluoromethyl)benzene (PubChem CID 19097933) has the molecular formula C19H25F3O and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-[2-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]ethyl]-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[2-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]ethyl]-4-(trifluoromethyl)benzene
PubChem CID19097933
Molecular FormulaC19H25F3O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name1-[2-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]ethyl]-4-(trifluoromethyl)benzene
SMILESCOC/C=C/C1CCC(CCc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C19H25F3O/c1-23-14-2-3-15-4-6-16(7-5-15)8-9-17-10-12-18(13-11-17)19(20,21)22/h2-3,10-13,15-16H,4-9,14H2,1H3/b3-2+
InChIKeyYADKQNGAPQHYAN-NSCUHMNNSA-N
XLogP5.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.40
LogP ≤ 55.65
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-[2-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]ethyl]-4-(trifluoromethyl)benzene?
The IUPAC name of 1-[2-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]ethyl]-4-(trifluoromethyl)benzene (CID 19097933) is 1-[2-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]ethyl]-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-[2-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]ethyl]-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-[2-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]ethyl]-4-(trifluoromethyl)benzene is COC/C=C/C1CCC(CCc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 1-[2-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]ethyl]-4-(trifluoromethyl)benzene?
The InChIKey is YADKQNGAPQHYAN-NSCUHMNNSA-N. The full InChI is InChI=1S/C19H25F3O/c1-23-14-2-3-15-4-6-16(7-5-15)8-9-17-10-12-18(13-11-17)19(20,21)22/h2-3,10-13,15-16H,4-9,14H2,1H3/b3-2+.
What are the key properties of 1-[2-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]ethyl]-4-(trifluoromethyl)benzene?
1-[2-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]ethyl]-4-(trifluoromethyl)benzene has a molecular weight of 326.40 g/mol, XLogP of 5.65, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(E)-3-methoxyprop-1-enyl]cyclohexyl]ethyl]-4-(trifluoromethyl)benzene is sourced from PubChem (CID 19097933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).