1,3-dimethoxy-5-[(E)-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethenyl]benzene

C24H21F3O3 — CID 164615076

IUPAC1,3-dimethoxy-5-[(E)-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethenyl]benzene
SMILESCOc1cc(/C=C/c2ccc(OCc3ccc(C(F)(F)F)cc3)cc2)cc(OC)c1
InChIInChI=1S/C24H21F3O3/c1-28-22-13-19(14-23(15-22)29-2)4-3-17-7-11-21(12-8-17)30-16-18-5-9-20(10-6-18)24(25,26)27/h3-15H,16H2,1-2H3/b4-3+
InChIKeyHOJYEHXEQYVTPF-ONEGZZNKSA-N
MW414.42 g/mol
LogP6.47
Rot. Bonds7

About 1,3-dimethoxy-5-[(E)-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethenyl]benzene

1,3-dimethoxy-5-[(E)-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethenyl]benzene (PubChem CID 164615076) has the molecular formula C24H21F3O3 and a molecular weight of 414.42 g/mol. Its IUPAC name is 1,3-dimethoxy-5-[(E)-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethenyl]benzene.

Molecular Properties

Compound Name1,3-dimethoxy-5-[(E)-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethenyl]benzene
PubChem CID164615076
Molecular FormulaC24H21F3O3
Molecular Weight414.42 g/mol
Exact Mass414.14
IUPAC Name1,3-dimethoxy-5-[(E)-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethenyl]benzene
SMILESCOc1cc(/C=C/c2ccc(OCc3ccc(C(F)(F)F)cc3)cc2)cc(OC)c1
InChIInChI=1S/C24H21F3O3/c1-28-22-13-19(14-23(15-22)29-2)4-3-17-7-11-21(12-8-17)30-16-18-5-9-20(10-6-18)24(25,26)27/h3-15H,16H2,1-2H3/b4-3+
InChIKeyHOJYEHXEQYVTPF-ONEGZZNKSA-N
XLogP6.47
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.42
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxy-5-[(E)-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethenyl]benzene?
The IUPAC name of 1,3-dimethoxy-5-[(E)-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethenyl]benzene (CID 164615076) is 1,3-dimethoxy-5-[(E)-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethenyl]benzene.
What is the SMILES notation for 1,3-dimethoxy-5-[(E)-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethenyl]benzene?
The canonical SMILES for 1,3-dimethoxy-5-[(E)-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethenyl]benzene is COc1cc(/C=C/c2ccc(OCc3ccc(C(F)(F)F)cc3)cc2)cc(OC)c1.
What is the InChIKey of 1,3-dimethoxy-5-[(E)-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethenyl]benzene?
The InChIKey is HOJYEHXEQYVTPF-ONEGZZNKSA-N. The full InChI is InChI=1S/C24H21F3O3/c1-28-22-13-19(14-23(15-22)29-2)4-3-17-7-11-21(12-8-17)30-16-18-5-9-20(10-6-18)24(25,26)27/h3-15H,16H2,1-2H3/b4-3+.
What are the key properties of 1,3-dimethoxy-5-[(E)-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethenyl]benzene?
1,3-dimethoxy-5-[(E)-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethenyl]benzene has a molecular weight of 414.42 g/mol, XLogP of 6.47, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethoxy-5-[(E)-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethenyl]benzene is sourced from PubChem (CID 164615076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).