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

C29H24F4O — CID 21053127

IUPAC2-(4-ethoxy-3,5-difluorophenyl)-1,3-difluoro-5-[4-(2-phenylpropyl)phenyl]benzene
SMILESCCOc1c(F)cc(-c2c(F)cc(-c3ccc(CC(C)c4ccccc4)cc3)cc2F)cc1F
InChIInChI=1S/C29H24F4O/c1-3-34-29-26(32)16-23(17-27(29)33)28-24(30)14-22(15-25(28)31)21-11-9-19(10-12-21)13-18(2)20-7-5-4-6-8-20/h4-12,14-18H,3,13H2,1-2H3
InChIKeyUAGFSEFENAPGPB-UHFFFAOYSA-N
MW464.50 g/mol
LogP8.32
Rot. Bonds7

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

2-(4-ethoxy-3,5-difluorophenyl)-1,3-difluoro-5-[4-(2-phenylpropyl)phenyl]benzene (PubChem CID 21053127) has the molecular formula C29H24F4O and a molecular weight of 464.50 g/mol. Its IUPAC name is 2-(4-ethoxy-3,5-difluorophenyl)-1,3-difluoro-5-[4-(2-phenylpropyl)phenyl]benzene.

Molecular Properties

Compound Name2-(4-ethoxy-3,5-difluorophenyl)-1,3-difluoro-5-[4-(2-phenylpropyl)phenyl]benzene
PubChem CID21053127
Molecular FormulaC29H24F4O
Molecular Weight464.50 g/mol
Exact Mass464.18
IUPAC Name2-(4-ethoxy-3,5-difluorophenyl)-1,3-difluoro-5-[4-(2-phenylpropyl)phenyl]benzene
SMILESCCOc1c(F)cc(-c2c(F)cc(-c3ccc(CC(C)c4ccccc4)cc3)cc2F)cc1F
InChIInChI=1S/C29H24F4O/c1-3-34-29-26(32)16-23(17-27(29)33)28-24(30)14-22(15-25(28)31)21-11-9-19(10-12-21)13-18(2)20-7-5-4-6-8-20/h4-12,14-18H,3,13H2,1-2H3
InChIKeyUAGFSEFENAPGPB-UHFFFAOYSA-N
XLogP8.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.50
LogP ≤ 58.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethoxy-1,3-difluoro-5-[4-[2-[4-(2-phenylpropyl)phenyl]ethyl]phenyl]benzene
CID 21052743
2-ethoxy-1,3-difluoro-5-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene
CID 58698774
2,6-difluoro-4-[4-[(2S)-2-phenylpropyl]phenyl]benzonitrile
CID 170842069
2-(4-ethoxy-3,5-difluorophenyl)-1,3-difluoro-5-[4-[(2S)-2-phenylpropyl]cyclohexyl]benzene
CID 58699195
1-[(E)-2-(4-ethoxyphenyl)ethenyl]-2-fluoro-4-[4-(2-phenylpropyl)phenyl]benzene
CID 21052460
1-chloro-4-[4-[4-[(2R)-2-phenylpropyl]phenyl]phenyl]benzene
CID 58699453
1-phenyl-4-[1-(4-phenylphenyl)propan-2-yl]benzene
CID 142290495
1,3-difluoro-2-pent-3-enyl-5-[4-[4-[(2S)-2-phenylpropyl]phenyl]phenyl]benzene
CID 91167302
1,4-bis(2-phenylpropyl)benzene
CID 19376086
1-fluoro-4-[4-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]phenyl]benzene
CID 21052442
(3,4,5-trifluorophenyl) 2,6-difluoro-4-[4-[(2R)-2-phenylpropyl]phenyl]benzoate
CID 58698598
(4-ethoxy-3,5-difluorophenyl) 4-[4-[(2R)-2-phenylpropyl]phenyl]cyclohexane-1-carboxylate
CID 58698364

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-3,5-difluorophenyl)-1,3-difluoro-5-[4-(2-phenylpropyl)phenyl]benzene?
The IUPAC name of 2-(4-ethoxy-3,5-difluorophenyl)-1,3-difluoro-5-[4-(2-phenylpropyl)phenyl]benzene (CID 21053127) is 2-(4-ethoxy-3,5-difluorophenyl)-1,3-difluoro-5-[4-(2-phenylpropyl)phenyl]benzene.
What is the SMILES notation for 2-(4-ethoxy-3,5-difluorophenyl)-1,3-difluoro-5-[4-(2-phenylpropyl)phenyl]benzene?
The canonical SMILES for 2-(4-ethoxy-3,5-difluorophenyl)-1,3-difluoro-5-[4-(2-phenylpropyl)phenyl]benzene is CCOc1c(F)cc(-c2c(F)cc(-c3ccc(CC(C)c4ccccc4)cc3)cc2F)cc1F.
What is the InChIKey of 2-(4-ethoxy-3,5-difluorophenyl)-1,3-difluoro-5-[4-(2-phenylpropyl)phenyl]benzene?
The InChIKey is UAGFSEFENAPGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24F4O/c1-3-34-29-26(32)16-23(17-27(29)33)28-24(30)14-22(15-25(28)31)21-11-9-19(10-12-21)13-18(2)20-7-5-4-6-8-20/h4-12,14-18H,3,13H2,1-2H3.
What are the key properties of 2-(4-ethoxy-3,5-difluorophenyl)-1,3-difluoro-5-[4-(2-phenylpropyl)phenyl]benzene?
2-(4-ethoxy-3,5-difluorophenyl)-1,3-difluoro-5-[4-(2-phenylpropyl)phenyl]benzene has a molecular weight of 464.50 g/mol, XLogP of 8.32, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-3,5-difluorophenyl)-1,3-difluoro-5-[4-(2-phenylpropyl)phenyl]benzene is sourced from PubChem (CID 21053127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).