1-[4-[2-(4-ethoxy-3-fluorophenyl)ethenyl]phenyl]-4-(4-ethylphenyl)-2,3-difluorobenzene

C30H25F3O — CID 77470948

IUPAC1-[4-[2-(4-ethoxy-3-fluorophenyl)ethenyl]phenyl]-4-(4-ethylphenyl)-2,3-difluorobenzene
SMILESCCOc1ccc(C=Cc2ccc(-c3ccc(-c4ccc(CC)cc4)c(F)c3F)cc2)cc1F
InChIInChI=1S/C30H25F3O/c1-3-20-7-12-23(13-8-20)25-16-17-26(30(33)29(25)32)24-14-9-21(10-15-24)5-6-22-11-18-28(34-4-2)27(31)19-22/h5-19H,3-4H2,1-2H3
InChIKeyRWAJLJZCPMUODH-UHFFFAOYSA-N
MW458.52 g/mol
LogP8.57
Rot. Bonds7

About 1-[4-[2-(4-ethoxy-3-fluorophenyl)ethenyl]phenyl]-4-(4-ethylphenyl)-2,3-difluorobenzene

1-[4-[2-(4-ethoxy-3-fluorophenyl)ethenyl]phenyl]-4-(4-ethylphenyl)-2,3-difluorobenzene (PubChem CID 77470948) has the molecular formula C30H25F3O and a molecular weight of 458.52 g/mol. Its IUPAC name is 1-[4-[2-(4-ethoxy-3-fluorophenyl)ethenyl]phenyl]-4-(4-ethylphenyl)-2,3-difluorobenzene.

Molecular Properties

Compound Name1-[4-[2-(4-ethoxy-3-fluorophenyl)ethenyl]phenyl]-4-(4-ethylphenyl)-2,3-difluorobenzene
PubChem CID77470948
Molecular FormulaC30H25F3O
Molecular Weight458.52 g/mol
Exact Mass458.19
IUPAC Name1-[4-[2-(4-ethoxy-3-fluorophenyl)ethenyl]phenyl]-4-(4-ethylphenyl)-2,3-difluorobenzene
SMILESCCOc1ccc(C=Cc2ccc(-c3ccc(-c4ccc(CC)cc4)c(F)c3F)cc2)cc1F
InChIInChI=1S/C30H25F3O/c1-3-20-7-12-23(13-8-20)25-16-17-26(30(33)29(25)32)24-14-9-21(10-15-24)5-6-22-11-18-28(34-4-2)27(31)19-22/h5-19H,3-4H2,1-2H3
InChIKeyRWAJLJZCPMUODH-UHFFFAOYSA-N
XLogP8.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.52
LogP ≤ 58.57
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-(4-ethoxycyclohexyl)-4-[4-[(E)-2-(4-ethoxy-3-fluorophenyl)ethenyl]phenyl]-2,3-difluorobenzene
CID 89430318
1-ethoxy-2,3-difluoro-4-[4-[2-[2-fluoro-4-[(E)-prop-1-enyl]phenyl]ethyl]phenyl]benzene
CID 58140862
1-(4-ethenylphenyl)-4-[2-[4-(4-ethoxy-3-fluorophenyl)phenyl]ethenyl]-2,3-difluorobenzene
CID 77470460
1-(4-ethenylcyclohexyl)-4-[4-[2-(4-ethoxy-3-fluorophenyl)ethenyl]phenyl]-2,3-difluorobenzene
CID 77470869
1-ethoxy-2-fluoro-4-prop-1-enylbenzene
CID 58719170
1-[2-[4-(4-ethoxy-3-fluorophenyl)cyclohexyl]ethenyl]-4-(4-ethylphenyl)-2,3-difluorobenzene
CID 77470302
1-[[4-(4-ethoxy-3-fluorophenyl)phenoxy]methyl]-2,3-difluoro-4-(4-prop-1-enylphenyl)benzene
CID 77470558
[4-(4-ethoxy-3-fluorophenyl)-2,3-difluorophenyl]methanol
CID 118188401
1-[4-[(4-ethoxy-3-fluorophenyl)methoxy]phenyl]-2,3-difluoro-4-phenylbenzene
CID 153125542
1-ethoxy-2-fluoro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene
CID 58698147
1-ethoxy-2-fluoro-4-[(E)-2-[4-(3,3,3-trifluoro-2-phenylpropyl)phenyl]ethenyl]benzene
CID 21052617
1-ethoxy-2,3-difluoro-4-(3-fluoro-4-propoxyphenyl)benzene
CID 118191581

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-ethoxy-3-fluorophenyl)ethenyl]phenyl]-4-(4-ethylphenyl)-2,3-difluorobenzene?
The IUPAC name of 1-[4-[2-(4-ethoxy-3-fluorophenyl)ethenyl]phenyl]-4-(4-ethylphenyl)-2,3-difluorobenzene (CID 77470948) is 1-[4-[2-(4-ethoxy-3-fluorophenyl)ethenyl]phenyl]-4-(4-ethylphenyl)-2,3-difluorobenzene.
What is the SMILES notation for 1-[4-[2-(4-ethoxy-3-fluorophenyl)ethenyl]phenyl]-4-(4-ethylphenyl)-2,3-difluorobenzene?
The canonical SMILES for 1-[4-[2-(4-ethoxy-3-fluorophenyl)ethenyl]phenyl]-4-(4-ethylphenyl)-2,3-difluorobenzene is CCOc1ccc(C=Cc2ccc(-c3ccc(-c4ccc(CC)cc4)c(F)c3F)cc2)cc1F.
What is the InChIKey of 1-[4-[2-(4-ethoxy-3-fluorophenyl)ethenyl]phenyl]-4-(4-ethylphenyl)-2,3-difluorobenzene?
The InChIKey is RWAJLJZCPMUODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25F3O/c1-3-20-7-12-23(13-8-20)25-16-17-26(30(33)29(25)32)24-14-9-21(10-15-24)5-6-22-11-18-28(34-4-2)27(31)19-22/h5-19H,3-4H2,1-2H3.
What are the key properties of 1-[4-[2-(4-ethoxy-3-fluorophenyl)ethenyl]phenyl]-4-(4-ethylphenyl)-2,3-difluorobenzene?
1-[4-[2-(4-ethoxy-3-fluorophenyl)ethenyl]phenyl]-4-(4-ethylphenyl)-2,3-difluorobenzene has a molecular weight of 458.52 g/mol, XLogP of 8.57, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-ethoxy-3-fluorophenyl)ethenyl]phenyl]-4-(4-ethylphenyl)-2,3-difluorobenzene is sourced from PubChem (CID 77470948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).