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

C31H30F2O — CID 21052743

IUPAC2-ethoxy-1,3-difluoro-5-[4-[2-[4-(2-phenylpropyl)phenyl]ethyl]phenyl]benzene
SMILESCCOc1c(F)cc(-c2ccc(CCc3ccc(CC(C)c4ccccc4)cc3)cc2)cc1F
InChIInChI=1S/C31H30F2O/c1-3-34-31-29(32)20-28(21-30(31)33)27-17-15-24(16-18-27)10-9-23-11-13-25(14-12-23)19-22(2)26-7-5-4-6-8-26/h4-8,11-18,20-22H,3,9-10,19H2,1-2H3
InChIKeyFLVMZYOKEKJORK-UHFFFAOYSA-N
MW456.58 g/mol
LogP8.16
Rot. Bonds9

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

2-ethoxy-1,3-difluoro-5-[4-[2-[4-(2-phenylpropyl)phenyl]ethyl]phenyl]benzene (PubChem CID 21052743) has the molecular formula C31H30F2O and a molecular weight of 456.58 g/mol. Its IUPAC name is 2-ethoxy-1,3-difluoro-5-[4-[2-[4-(2-phenylpropyl)phenyl]ethyl]phenyl]benzene.

Molecular Properties

Compound Name2-ethoxy-1,3-difluoro-5-[4-[2-[4-(2-phenylpropyl)phenyl]ethyl]phenyl]benzene
PubChem CID21052743
Molecular FormulaC31H30F2O
Molecular Weight456.58 g/mol
Exact Mass456.23
IUPAC Name2-ethoxy-1,3-difluoro-5-[4-[2-[4-(2-phenylpropyl)phenyl]ethyl]phenyl]benzene
SMILESCCOc1c(F)cc(-c2ccc(CCc3ccc(CC(C)c4ccccc4)cc3)cc2)cc1F
InChIInChI=1S/C31H30F2O/c1-3-34-31-29(32)20-28(21-30(31)33)27-17-15-24(16-18-27)10-9-23-11-13-25(14-12-23)19-22(2)26-7-5-4-6-8-26/h4-8,11-18,20-22H,3,9-10,19H2,1-2H3
InChIKeyFLVMZYOKEKJORK-UHFFFAOYSA-N
XLogP8.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.58
LogP ≤ 58.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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-[2-[4-[(2R)-2-phenylpropyl]phenyl]ethenyl]benzene
CID 58698774
1-chloro-4-[4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]phenyl]benzene
CID 58698493
2,6-difluoro-4-[4-[(2S)-2-phenylpropyl]phenyl]benzonitrile
CID 170842069
1-[(E)-2-(4-ethoxyphenyl)ethenyl]-2-fluoro-4-[4-(2-phenylpropyl)phenyl]benzene
CID 21052460
2-fluoro-4-[2-[4-[4-[(2S)-2-phenylpropyl]phenyl]phenyl]ethyl]benzonitrile
CID 58699248
1,3-difluoro-2-pent-3-enyl-5-[4-[4-[(2S)-2-phenylpropyl]phenyl]phenyl]benzene
CID 91167302
2-fluoro-4-[4-[(2R)-2-phenylpropyl]phenyl]-1-[2-[4-(4-propylphenyl)phenyl]ethenyl]benzene
CID 58698086
(3,4,5-trifluorophenyl) 2,6-difluoro-4-[4-[(2R)-2-phenylpropyl]phenyl]benzoate
CID 58698598
1-ethoxy-4-[2-[4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]phenyl]ethenyl]benzene
CID 58699069
1-chloro-4-[4-[4-[(2R)-2-phenylpropyl]phenyl]phenyl]benzene
CID 58699453
2-fluoro-1-[2-[4-[4-[(2S)-2-phenylpropyl]phenyl]phenyl]ethenyl]-4-[2-(4-propylphenyl)ethyl]benzene
CID 58698355

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1,3-difluoro-5-[4-[2-[4-(2-phenylpropyl)phenyl]ethyl]phenyl]benzene?
The IUPAC name of 2-ethoxy-1,3-difluoro-5-[4-[2-[4-(2-phenylpropyl)phenyl]ethyl]phenyl]benzene (CID 21052743) is 2-ethoxy-1,3-difluoro-5-[4-[2-[4-(2-phenylpropyl)phenyl]ethyl]phenyl]benzene.
What is the SMILES notation for 2-ethoxy-1,3-difluoro-5-[4-[2-[4-(2-phenylpropyl)phenyl]ethyl]phenyl]benzene?
The canonical SMILES for 2-ethoxy-1,3-difluoro-5-[4-[2-[4-(2-phenylpropyl)phenyl]ethyl]phenyl]benzene is CCOc1c(F)cc(-c2ccc(CCc3ccc(CC(C)c4ccccc4)cc3)cc2)cc1F.
What is the InChIKey of 2-ethoxy-1,3-difluoro-5-[4-[2-[4-(2-phenylpropyl)phenyl]ethyl]phenyl]benzene?
The InChIKey is FLVMZYOKEKJORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30F2O/c1-3-34-31-29(32)20-28(21-30(31)33)27-17-15-24(16-18-27)10-9-23-11-13-25(14-12-23)19-22(2)26-7-5-4-6-8-26/h4-8,11-18,20-22H,3,9-10,19H2,1-2H3.
What are the key properties of 2-ethoxy-1,3-difluoro-5-[4-[2-[4-(2-phenylpropyl)phenyl]ethyl]phenyl]benzene?
2-ethoxy-1,3-difluoro-5-[4-[2-[4-(2-phenylpropyl)phenyl]ethyl]phenyl]benzene has a molecular weight of 456.58 g/mol, XLogP of 8.16, 9 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-[4-[2-[4-(2-phenylpropyl)phenyl]ethyl]phenyl]benzene is sourced from PubChem (CID 21052743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).