1-ethoxy-4-[2-[4-[4-(4-ethoxyphenyl)-2,3-difluorophenyl]phenyl]ethyl]-2,3-difluorobenzene

C30H26F4O2 — CID 89430735

IUPAC1-ethoxy-4-[2-[4-[4-(4-ethoxyphenyl)-2,3-difluorophenyl]phenyl]ethyl]-2,3-difluorobenzene
SMILESCCOc1ccc(-c2ccc(-c3ccc(CCc4ccc(OCC)c(F)c4F)cc3)c(F)c2F)cc1
InChIInChI=1S/C30H26F4O2/c1-3-35-23-14-11-21(12-15-23)25-17-16-24(28(32)29(25)33)20-8-5-19(6-9-20)7-10-22-13-18-26(36-4-2)30(34)27(22)31/h5-6,8-9,11-18H,3-4,7,10H2,1-2H3
InChIKeyNDWSFOYBYJZXJX-UHFFFAOYSA-N
MW494.53 g/mol
LogP8.16
Rot. Bonds9

About 1-ethoxy-4-[2-[4-[4-(4-ethoxyphenyl)-2,3-difluorophenyl]phenyl]ethyl]-2,3-difluorobenzene

1-ethoxy-4-[2-[4-[4-(4-ethoxyphenyl)-2,3-difluorophenyl]phenyl]ethyl]-2,3-difluorobenzene (PubChem CID 89430735) has the molecular formula C30H26F4O2 and a molecular weight of 494.53 g/mol. Its IUPAC name is 1-ethoxy-4-[2-[4-[4-(4-ethoxyphenyl)-2,3-difluorophenyl]phenyl]ethyl]-2,3-difluorobenzene.

Molecular Properties

Compound Name1-ethoxy-4-[2-[4-[4-(4-ethoxyphenyl)-2,3-difluorophenyl]phenyl]ethyl]-2,3-difluorobenzene
PubChem CID89430735
Molecular FormulaC30H26F4O2
Molecular Weight494.53 g/mol
Exact Mass494.19
IUPAC Name1-ethoxy-4-[2-[4-[4-(4-ethoxyphenyl)-2,3-difluorophenyl]phenyl]ethyl]-2,3-difluorobenzene
SMILESCCOc1ccc(-c2ccc(-c3ccc(CCc4ccc(OCC)c(F)c4F)cc3)c(F)c2F)cc1
InChIInChI=1S/C30H26F4O2/c1-3-35-23-14-11-21(12-15-23)25-17-16-24(28(32)29(25)33)20-8-5-19(6-9-20)7-10-22-13-18-26(36-4-2)30(34)27(22)31/h5-6,8-9,11-18H,3-4,7,10H2,1-2H3
InChIKeyNDWSFOYBYJZXJX-UHFFFAOYSA-N
XLogP8.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.53
LogP ≤ 58.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-but-3-enoxy-4-[4-[2-[4-(4-ethoxyphenyl)-2,3-difluorophenyl]ethyl]phenyl]-2,3-difluorobenzene
CID 89429977
[4-[2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]ethyl]-3-fluorophenyl]methanol
CID 58141328
1-[2-[4-(4-but-3-enoxy-3-fluorophenyl)phenyl]ethyl]-4-(4-ethoxyphenyl)-2,3-difluorobenzene
CID 89429787
2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]ethanol
CID 118022111
1-ethoxy-2,3-difluoro-4-[4-[2-[2-fluoro-4-[(E)-prop-1-enyl]phenyl]ethyl]phenyl]benzene
CID 58140862
1-(4-butoxyphenyl)-4-[4-[(4-ethoxy-2,3-difluorophenyl)methoxy]phenyl]-2,3-difluorobenzene
CID 89430437
1-ethoxy-4-[4-[(4-ethyl-3-fluorophenyl)methoxy]phenyl]-2,3-difluorobenzene
CID 58141772
1-[4-[2-[4-(4-but-3-enylphenyl)phenyl]ethyl]phenyl]-4-ethoxy-2,3-difluorobenzene
CID 154607362
1-[4-(4-ethoxyphenyl)phenyl]-2,3-difluoro-4-octylbenzene
CID 54190896
1-[2-[4-(2,3-difluoro-4-methoxyphenyl)phenyl]ethyl]-2,3-difluoro-4-phenylbenzene
CID 163764553
1-butoxy-2,3-difluoro-4-(4-methylphenyl)benzene;1-butoxy-2,3-difluoro-4-(4-propylphenyl)benzene;2,3-difluoro-1-(4-methylphenyl)-4-pentylbenzene;2,3-difluoro-1-(4-pentylphenyl)-4-propylbenzene;2,3-difluoro-1-pentyl-4-(4-propylphenyl)benzene;2,3-difluoro-1-propyl-4-(4-propylphenyl)benzene;1-ethoxy-2,3-difluoro-4-(4-pentylphenyl)benzene;1-ethoxy-2,3-difluoro-4-(4-propylphenyl)benzene
CID 158794675
1-(4-butoxycyclohexen-1-yl)-4-[2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]ethyl]-2,3-difluorobenzene
CID 89430290

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-[2-[4-[4-(4-ethoxyphenyl)-2,3-difluorophenyl]phenyl]ethyl]-2,3-difluorobenzene?
The IUPAC name of 1-ethoxy-4-[2-[4-[4-(4-ethoxyphenyl)-2,3-difluorophenyl]phenyl]ethyl]-2,3-difluorobenzene (CID 89430735) is 1-ethoxy-4-[2-[4-[4-(4-ethoxyphenyl)-2,3-difluorophenyl]phenyl]ethyl]-2,3-difluorobenzene.
What is the SMILES notation for 1-ethoxy-4-[2-[4-[4-(4-ethoxyphenyl)-2,3-difluorophenyl]phenyl]ethyl]-2,3-difluorobenzene?
The canonical SMILES for 1-ethoxy-4-[2-[4-[4-(4-ethoxyphenyl)-2,3-difluorophenyl]phenyl]ethyl]-2,3-difluorobenzene is CCOc1ccc(-c2ccc(-c3ccc(CCc4ccc(OCC)c(F)c4F)cc3)c(F)c2F)cc1.
What is the InChIKey of 1-ethoxy-4-[2-[4-[4-(4-ethoxyphenyl)-2,3-difluorophenyl]phenyl]ethyl]-2,3-difluorobenzene?
The InChIKey is NDWSFOYBYJZXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26F4O2/c1-3-35-23-14-11-21(12-15-23)25-17-16-24(28(32)29(25)33)20-8-5-19(6-9-20)7-10-22-13-18-26(36-4-2)30(34)27(22)31/h5-6,8-9,11-18H,3-4,7,10H2,1-2H3.
What are the key properties of 1-ethoxy-4-[2-[4-[4-(4-ethoxyphenyl)-2,3-difluorophenyl]phenyl]ethyl]-2,3-difluorobenzene?
1-ethoxy-4-[2-[4-[4-(4-ethoxyphenyl)-2,3-difluorophenyl]phenyl]ethyl]-2,3-difluorobenzene has a molecular weight of 494.53 g/mol, XLogP of 8.16, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-[2-[4-[4-(4-ethoxyphenyl)-2,3-difluorophenyl]phenyl]ethyl]-2,3-difluorobenzene is sourced from PubChem (CID 89430735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).