1-propyl-4-[2-[4-(trifluoromethoxy)phenyl]prop-1-enyl]benzene

C19H19F3O — CID 54383292

IUPAC1-propyl-4-[2-[4-(trifluoromethoxy)phenyl]prop-1-enyl]benzene
SMILESCCCc1ccc(C=C(C)c2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C19H19F3O/c1-3-4-15-5-7-16(8-6-15)13-14(2)17-9-11-18(12-10-17)23-19(20,21)22/h5-13H,3-4H2,1-2H3
InChIKeyVBLSYIKVJDRZAU-UHFFFAOYSA-N
MW320.35 g/mol
LogP6.10
Rot. Bonds5

About 1-propyl-4-[2-[4-(trifluoromethoxy)phenyl]prop-1-enyl]benzene

1-propyl-4-[2-[4-(trifluoromethoxy)phenyl]prop-1-enyl]benzene (PubChem CID 54383292) has the molecular formula C19H19F3O and a molecular weight of 320.35 g/mol. Its IUPAC name is 1-propyl-4-[2-[4-(trifluoromethoxy)phenyl]prop-1-enyl]benzene.

Molecular Properties

Compound Name1-propyl-4-[2-[4-(trifluoromethoxy)phenyl]prop-1-enyl]benzene
PubChem CID54383292
Molecular FormulaC19H19F3O
Molecular Weight320.35 g/mol
Exact Mass320.14
IUPAC Name1-propyl-4-[2-[4-(trifluoromethoxy)phenyl]prop-1-enyl]benzene
SMILESCCCc1ccc(C=C(C)c2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C19H19F3O/c1-3-4-15-5-7-16(8-6-15)13-14(2)17-9-11-18(12-10-17)23-19(20,21)22/h5-13H,3-4H2,1-2H3
InChIKeyVBLSYIKVJDRZAU-UHFFFAOYSA-N
XLogP6.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.35
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(1-phenylprop-1-en-2-yl)-4-propylbenzene
CID 57256038
2-fluoro-4-[(Z)-1-(4-propylphenyl)pent-1-en-2-yl]-1-(trifluoromethoxy)benzene
CID 67676612
3-[4-(trifluoromethoxy)phenyl]but-2-en-1-amine
CID 76997280
2-methyl-3-[4-(trifluoromethoxy)phenyl]prop-2-enal
CID 79330887
1-[2-[difluoro-(4-propylphenyl)methoxy]ethyl]-4-(trifluoromethoxy)benzene
CID 54046364
(Z)-4-[4-(trifluoromethoxy)phenyl]pent-3-en-2-one
CID 103970826
(Z)-2-methyl-3-[4-(trifluoromethoxy)phenyl]prop-2-enoic acid
CID 124656957
(E)-2-difluoroboranyloxy-1,3-bis(4-propylphenyl)prop-2-en-1-one
CID 132526772
3-(4-acetylphenyl)-1-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]propan-1-one
CID 147622228
1-[(2-methylpropan-2-yl)oxy]-4-propylbenzene
CID 19097569
1-pentyl-4-[4-[2-[4-(trifluoromethoxy)phenyl]ethyl]phenyl]benzene
CID 18984117
[4-[1-(trifluoromethoxy)ethyl]phenyl] 4-propylbenzoate
CID 139813530

Frequently Asked Questions

What is the IUPAC name of 1-propyl-4-[2-[4-(trifluoromethoxy)phenyl]prop-1-enyl]benzene?
The IUPAC name of 1-propyl-4-[2-[4-(trifluoromethoxy)phenyl]prop-1-enyl]benzene (CID 54383292) is 1-propyl-4-[2-[4-(trifluoromethoxy)phenyl]prop-1-enyl]benzene.
What is the SMILES notation for 1-propyl-4-[2-[4-(trifluoromethoxy)phenyl]prop-1-enyl]benzene?
The canonical SMILES for 1-propyl-4-[2-[4-(trifluoromethoxy)phenyl]prop-1-enyl]benzene is CCCc1ccc(C=C(C)c2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of 1-propyl-4-[2-[4-(trifluoromethoxy)phenyl]prop-1-enyl]benzene?
The InChIKey is VBLSYIKVJDRZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3O/c1-3-4-15-5-7-16(8-6-15)13-14(2)17-9-11-18(12-10-17)23-19(20,21)22/h5-13H,3-4H2,1-2H3.
What are the key properties of 1-propyl-4-[2-[4-(trifluoromethoxy)phenyl]prop-1-enyl]benzene?
1-propyl-4-[2-[4-(trifluoromethoxy)phenyl]prop-1-enyl]benzene has a molecular weight of 320.35 g/mol, XLogP of 6.10, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-4-[2-[4-(trifluoromethoxy)phenyl]prop-1-enyl]benzene is sourced from PubChem (CID 54383292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).