2-ethoxy-1,3-difluoro-5-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene

C25H24F2O — CID 58698774

IUPAC2-ethoxy-1,3-difluoro-5-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene
SMILESCCOc1c(F)cc(C=Cc2ccc(C[C@@H](C)c3ccccc3)cc2)cc1F
InChIInChI=1S/C25H24F2O/c1-3-28-25-23(26)16-21(17-24(25)27)14-11-19-9-12-20(13-10-19)15-18(2)22-7-5-4-6-8-22/h4-14,16-18H,3,15H2,1-2H3/t18-/m1/s1
InChIKeyMUEVVPOLMGYHIF-GOSISDBHSA-N
MW378.46 g/mol
LogP6.88
Rot. Bonds7

About 2-ethoxy-1,3-difluoro-5-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene

2-ethoxy-1,3-difluoro-5-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene (PubChem CID 58698774) has the molecular formula C25H24F2O and a molecular weight of 378.46 g/mol. Its IUPAC name is 2-ethoxy-1,3-difluoro-5-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene.

Molecular Properties

Compound Name2-ethoxy-1,3-difluoro-5-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene
PubChem CID58698774
Molecular FormulaC25H24F2O
Molecular Weight378.46 g/mol
Exact Mass378.18
IUPAC Name2-ethoxy-1,3-difluoro-5-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene
SMILESCCOc1c(F)cc(C=Cc2ccc(C[C@@H](C)c3ccccc3)cc2)cc1F
InChIInChI=1S/C25H24F2O/c1-3-28-25-23(26)16-21(17-24(25)27)14-11-19-9-12-20(13-10-19)15-18(2)22-7-5-4-6-8-22/h4-14,16-18H,3,15H2,1-2H3/t18-/m1/s1
InChIKeyMUEVVPOLMGYHIF-GOSISDBHSA-N
XLogP6.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.46
LogP ≤ 56.88
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

2-(4-ethoxy-3,5-difluorophenyl)-1,3-difluoro-5-[4-(2-phenylpropyl)phenyl]benzene
CID 21053127
2-ethoxy-1,3-difluoro-5-[4-[2-[4-(2-phenylpropyl)phenyl]ethyl]phenyl]benzene
CID 21052743
1-ethoxy-4-[2-[4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]phenyl]ethenyl]benzene
CID 58699069
1-chloro-2-fluoro-4-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]benzene
CID 21052595
1-[(E)-2-(4-ethoxyphenyl)ethenyl]-2-fluoro-4-[4-(2-phenylpropyl)phenyl]benzene
CID 21052460
2-fluoro-4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethenyl]benzonitrile
CID 58698573
1,3-difluoro-2-[(E)-pent-3-enyl]-5-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene
CID 58698730
1-fluoro-4-[4-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]phenyl]benzene
CID 21052442
2-fluoro-1-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethenyl]-4-propylbenzene
CID 58698548
2-fluoro-1-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]-4-[2-(4-propylphenyl)ethyl]benzene
CID 21052760
2-fluoro-1-[2-(4-fluorophenyl)ethenyl]-4-[(2R)-2-phenylpropyl]benzene
CID 58698775
2,4-difluoro-1-[2-[4-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethyl]phenyl]ethenyl]benzene
CID 58698840

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1,3-difluoro-5-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene?
The IUPAC name of 2-ethoxy-1,3-difluoro-5-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene (CID 58698774) is 2-ethoxy-1,3-difluoro-5-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene.
What is the SMILES notation for 2-ethoxy-1,3-difluoro-5-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene?
The canonical SMILES for 2-ethoxy-1,3-difluoro-5-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene is CCOc1c(F)cc(C=Cc2ccc(C[C@@H](C)c3ccccc3)cc2)cc1F.
What is the InChIKey of 2-ethoxy-1,3-difluoro-5-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene?
The InChIKey is MUEVVPOLMGYHIF-GOSISDBHSA-N. The full InChI is InChI=1S/C25H24F2O/c1-3-28-25-23(26)16-21(17-24(25)27)14-11-19-9-12-20(13-10-19)15-18(2)22-7-5-4-6-8-22/h4-14,16-18H,3,15H2,1-2H3/t18-/m1/s1.
What are the key properties of 2-ethoxy-1,3-difluoro-5-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene?
2-ethoxy-1,3-difluoro-5-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene has a molecular weight of 378.46 g/mol, XLogP of 6.88, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1,3-difluoro-5-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene is sourced from PubChem (CID 58698774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).