1-[4-(4-ethoxyphenyl)phenyl]-2,3-difluoro-4-(4-propoxyphenyl)benzene

C29H26F2O2 — CID 19107911

IUPAC1-[4-(4-ethoxyphenyl)phenyl]-2,3-difluoro-4-(4-propoxyphenyl)benzene
SMILESCCCOc1ccc(-c2ccc(-c3ccc(-c4ccc(OCC)cc4)cc3)c(F)c2F)cc1
InChIInChI=1S/C29H26F2O2/c1-3-19-33-25-15-11-23(12-16-25)27-18-17-26(28(30)29(27)31)22-7-5-20(6-8-22)21-9-13-24(14-10-21)32-4-2/h5-18H,3-4,19H2,1-2H3
InChIKeyWHBPKHWSIZUZOO-UHFFFAOYSA-N
MW444.52 g/mol
LogP8.15
Rot. Bonds8

About 1-[4-(4-ethoxyphenyl)phenyl]-2,3-difluoro-4-(4-propoxyphenyl)benzene

1-[4-(4-ethoxyphenyl)phenyl]-2,3-difluoro-4-(4-propoxyphenyl)benzene (PubChem CID 19107911) has the molecular formula C29H26F2O2 and a molecular weight of 444.52 g/mol. Its IUPAC name is 1-[4-(4-ethoxyphenyl)phenyl]-2,3-difluoro-4-(4-propoxyphenyl)benzene.

Molecular Properties

Compound Name1-[4-(4-ethoxyphenyl)phenyl]-2,3-difluoro-4-(4-propoxyphenyl)benzene
PubChem CID19107911
Molecular FormulaC29H26F2O2
Molecular Weight444.52 g/mol
Exact Mass444.19
IUPAC Name1-[4-(4-ethoxyphenyl)phenyl]-2,3-difluoro-4-(4-propoxyphenyl)benzene
SMILESCCCOc1ccc(-c2ccc(-c3ccc(-c4ccc(OCC)cc4)cc3)c(F)c2F)cc1
InChIInChI=1S/C29H26F2O2/c1-3-19-33-25-15-11-23(12-16-25)27-18-17-26(28(30)29(27)31)22-7-5-20(6-8-22)21-9-13-24(14-10-21)32-4-2/h5-18H,3-4,19H2,1-2H3
InChIKeyWHBPKHWSIZUZOO-UHFFFAOYSA-N
XLogP8.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.52
LogP ≤ 58.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethoxyphenyl)-2,3-difluoro-4-[4-(4-heptoxyphenyl)phenyl]benzene
CID 19107879
2,3-difluoro-1-[4-(4-heptoxyphenyl)phenyl]-4-(4-propoxyphenyl)benzene
CID 19107947
1-(4-ethoxyphenyl)-2,3-difluoro-4-[4-(6-methoxyhexoxy)phenyl]benzene
CID 90049279
2,3-difluoro-4-(4-propoxyphenyl)benzonitrile
CID 14548496
2,3-difluoro-1-[4-(4-methylphenyl)phenyl]-4-propoxybenzene
CID 145339830
1-[4-(4-ethoxyphenyl)phenyl]-2,3-difluoro-4-octylbenzene
CID 54190896
1-butoxy-4-[4-[[2,3-difluoro-4-(4-propoxyphenyl)phenyl]methoxy]phenyl]-2,3-difluorobenzene
CID 89430006
1-(4-ethylphenyl)-2,3-difluoro-4-(4-pentoxyphenyl)benzene
CID 162480776
2,3-difluoro-1-(4-octoxyphenyl)-4-[4-(4-octylphenyl)phenyl]benzene
CID 19108037
2,3-difluoro-1-(4-octoxyphenyl)-4-[4-(4-propylphenyl)phenyl]benzene
CID 19107873
1-[4-(difluoromethoxy)phenyl]-2,3-difluoro-4-propoxybenzene
CID 19436305
1-(4-butoxyphenyl)-4-[4-[(4-ethoxy-2,3-difluorophenyl)methoxy]phenyl]-2,3-difluorobenzene
CID 89430437

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-ethoxyphenyl)phenyl]-2,3-difluoro-4-(4-propoxyphenyl)benzene?
The IUPAC name of 1-[4-(4-ethoxyphenyl)phenyl]-2,3-difluoro-4-(4-propoxyphenyl)benzene (CID 19107911) is 1-[4-(4-ethoxyphenyl)phenyl]-2,3-difluoro-4-(4-propoxyphenyl)benzene.
What is the SMILES notation for 1-[4-(4-ethoxyphenyl)phenyl]-2,3-difluoro-4-(4-propoxyphenyl)benzene?
The canonical SMILES for 1-[4-(4-ethoxyphenyl)phenyl]-2,3-difluoro-4-(4-propoxyphenyl)benzene is CCCOc1ccc(-c2ccc(-c3ccc(-c4ccc(OCC)cc4)cc3)c(F)c2F)cc1.
What is the InChIKey of 1-[4-(4-ethoxyphenyl)phenyl]-2,3-difluoro-4-(4-propoxyphenyl)benzene?
The InChIKey is WHBPKHWSIZUZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26F2O2/c1-3-19-33-25-15-11-23(12-16-25)27-18-17-26(28(30)29(27)31)22-7-5-20(6-8-22)21-9-13-24(14-10-21)32-4-2/h5-18H,3-4,19H2,1-2H3.
What are the key properties of 1-[4-(4-ethoxyphenyl)phenyl]-2,3-difluoro-4-(4-propoxyphenyl)benzene?
1-[4-(4-ethoxyphenyl)phenyl]-2,3-difluoro-4-(4-propoxyphenyl)benzene has a molecular weight of 444.52 g/mol, XLogP of 8.15, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-ethoxyphenyl)phenyl]-2,3-difluoro-4-(4-propoxyphenyl)benzene is sourced from PubChem (CID 19107911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).