1-[(E)-3-cyclobutylprop-2-enyl]-4-(cyclopropylmethoxy)-2-methyl-3-(trifluoromethoxy)benzene

C19H23F3O2 — CID 157180852

IUPAC1-[(E)-3-cyclobutylprop-2-enyl]-4-(cyclopropylmethoxy)-2-methyl-3-(trifluoromethoxy)benzene
SMILESCc1c(C/C=C/C2CCC2)ccc(OCC2CC2)c1OC(F)(F)F
InChIInChI=1S/C19H23F3O2/c1-13-16(7-3-6-14-4-2-5-14)10-11-17(23-12-15-8-9-15)18(13)24-19(20,21)22/h3,6,10-11,14-15H,2,4-5,7-9,12H2,1H3/b6-3+
InChIKeyDNHPXPBIBVHPLN-ZZXKWVIFSA-N
MW340.39 g/mol
LogP5.58
Rot. Bonds7

About 1-[(E)-3-cyclobutylprop-2-enyl]-4-(cyclopropylmethoxy)-2-methyl-3-(trifluoromethoxy)benzene

1-[(E)-3-cyclobutylprop-2-enyl]-4-(cyclopropylmethoxy)-2-methyl-3-(trifluoromethoxy)benzene (PubChem CID 157180852) has the molecular formula C19H23F3O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is 1-[(E)-3-cyclobutylprop-2-enyl]-4-(cyclopropylmethoxy)-2-methyl-3-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-[(E)-3-cyclobutylprop-2-enyl]-4-(cyclopropylmethoxy)-2-methyl-3-(trifluoromethoxy)benzene
PubChem CID157180852
Molecular FormulaC19H23F3O2
Molecular Weight340.39 g/mol
Exact Mass340.17
IUPAC Name1-[(E)-3-cyclobutylprop-2-enyl]-4-(cyclopropylmethoxy)-2-methyl-3-(trifluoromethoxy)benzene
SMILESCc1c(C/C=C/C2CCC2)ccc(OCC2CC2)c1OC(F)(F)F
InChIInChI=1S/C19H23F3O2/c1-13-16(7-3-6-14-4-2-5-14)10-11-17(23-12-15-8-9-15)18(13)24-19(20,21)22/h3,6,10-11,14-15H,2,4-5,7-9,12H2,1H3/b6-3+
InChIKeyDNHPXPBIBVHPLN-ZZXKWVIFSA-N
XLogP5.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.39
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclobutylmethoxy)-4-[(E)-3-cyclobutylprop-2-enyl]-3-methyl-2-(trifluoromethoxy)benzene
CID 161037979
1-(cyclopentylmethoxy)-4-[(E)-3-cyclopentylprop-2-enyl]-3-fluoro-2-(trifluoromethoxy)benzene
CID 148983725
1-[(E)-4-cyclopentylbut-3-enyl]-4-(cyclopentylmethoxy)-2-methyl-3-(trifluoromethoxy)benzene;1-[(E)-4-cyclopentylbut-3-enyl]-4-cyclopentyloxy-2-methyl-3-(trifluoromethoxy)benzene;1-[(E)-2-cyclopentylethenyl]-4-(2-cyclopentylethoxy)-2-methyl-3-(trifluoromethoxy)benzene;1-[(E)-2-cyclopentylethenyl]-4-(cyclopentylmethoxy)-2-methyl-3-(trifluoromethoxy)benzene;1-[(E)-2-cyclopentylethenyl]-4-cyclopentyloxy-2-methyl-3-(trifluoromethoxy)benzene;1-(2-cyclopentylethoxy)-4-[(E)-3-cyclopentylprop-2-enyl]-3-methyl-2-(trifluoromethoxy)benzene;1-(cyclopentylmethoxy)-4-[(E)-3-cyclopentylprop-2-enyl]-3-methyl-2-(trifluoromethoxy)benzene;1-cyclopentyloxy-4-[(E)-3-cyclopentylprop-2-enyl]-3-methyl-2-(trifluoromethoxy)benzene
CID 159104567
1-(cyclobutylmethoxy)-4-[(E)-3-cyclopentylprop-2-enyl]-2-fluoro-3-methylbenzene
CID 157197964
1-[(E)-4-cyclobutylbut-3-enyl]-4-(cyclobutylmethoxy)-2-fluoro-3-(trifluoromethoxy)benzene
CID 148649365
1-(cyclobutylmethoxy)-4-cyclopentyloxy-2-methyl-3-(trifluoromethoxy)benzene
CID 162061698
1-(2-cyclopropylethoxy)-4-[(E)-3-cyclopropylprop-2-enyl]-2-fluoro-3-methylbenzene
CID 159641659
1-(cyclopentylmethoxy)-4-(cyclopentylmethyl)-3-fluoro-2-(trifluoromethoxy)benzene
CID 153282549
1-[(E)-3-cyclobutylprop-2-enoxy]-4-(cyclopropylmethoxy)-2,3-difluorobenzene
CID 153282272
1-[(E)-3-cyclopentylprop-2-enoxy]-4-[(E)-3-cyclopropylprop-2-enoxy]-2-fluoro-3-(trifluoromethoxy)benzene
CID 148723204
1-cyclopentyl-4-(2-cyclopentylethoxy)-2-fluoro-3-(trifluoromethoxy)benzene;1-cyclopentyl-4-(cyclopentylmethoxy)-2-fluoro-3-(trifluoromethoxy)benzene;1-cyclopentyl-4-cyclopentyloxy-2-fluoro-3-(trifluoromethoxy)benzene;1-(2-cyclopentylethoxy)-4-(cyclopentylmethyl)-3-fluoro-2-(trifluoromethoxy)benzene;1-(cyclopentylmethoxy)-4-(cyclopentylmethyl)-3-fluoro-2-(trifluoromethoxy)benzene;1-(cyclopentylmethyl)-4-cyclopentyloxy-2-fluoro-3-(trifluoromethoxy)benzene;1-[(E)-2-cyclopropylethenyl]-4-cyclopropyloxy-2-fluoro-3-(trifluoromethoxy)benzene;1-cyclopropyloxy-4-[(E)-3-cyclopropylprop-2-enyl]-3-fluoro-2-(trifluoromethoxy)benzene
CID 159603887
1-(cyclopentylmethoxy)-4-ethoxy-3-fluoro-2-(trifluoromethoxy)benzene
CID 153282425

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-cyclobutylprop-2-enyl]-4-(cyclopropylmethoxy)-2-methyl-3-(trifluoromethoxy)benzene?
The IUPAC name of 1-[(E)-3-cyclobutylprop-2-enyl]-4-(cyclopropylmethoxy)-2-methyl-3-(trifluoromethoxy)benzene (CID 157180852) is 1-[(E)-3-cyclobutylprop-2-enyl]-4-(cyclopropylmethoxy)-2-methyl-3-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-[(E)-3-cyclobutylprop-2-enyl]-4-(cyclopropylmethoxy)-2-methyl-3-(trifluoromethoxy)benzene?
The canonical SMILES for 1-[(E)-3-cyclobutylprop-2-enyl]-4-(cyclopropylmethoxy)-2-methyl-3-(trifluoromethoxy)benzene is Cc1c(C/C=C/C2CCC2)ccc(OCC2CC2)c1OC(F)(F)F.
What is the InChIKey of 1-[(E)-3-cyclobutylprop-2-enyl]-4-(cyclopropylmethoxy)-2-methyl-3-(trifluoromethoxy)benzene?
The InChIKey is DNHPXPBIBVHPLN-ZZXKWVIFSA-N. The full InChI is InChI=1S/C19H23F3O2/c1-13-16(7-3-6-14-4-2-5-14)10-11-17(23-12-15-8-9-15)18(13)24-19(20,21)22/h3,6,10-11,14-15H,2,4-5,7-9,12H2,1H3/b6-3+.
What are the key properties of 1-[(E)-3-cyclobutylprop-2-enyl]-4-(cyclopropylmethoxy)-2-methyl-3-(trifluoromethoxy)benzene?
1-[(E)-3-cyclobutylprop-2-enyl]-4-(cyclopropylmethoxy)-2-methyl-3-(trifluoromethoxy)benzene has a molecular weight of 340.39 g/mol, XLogP of 5.58, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-cyclobutylprop-2-enyl]-4-(cyclopropylmethoxy)-2-methyl-3-(trifluoromethoxy)benzene is sourced from PubChem (CID 157180852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).