1-[2-[4-[4-(ethoxymethyl)-3-fluorophenyl]phenyl]ethyl]-2,3-difluoro-4-(4-methoxyphenyl)benzene

C30H27F3O2 — CID 70946204

IUPAC1-[2-[4-[4-(ethoxymethyl)-3-fluorophenyl]phenyl]ethyl]-2,3-difluoro-4-(4-methoxyphenyl)benzene
SMILESCCOCc1ccc(-c2ccc(CCc3ccc(-c4ccc(OC)cc4)c(F)c3F)cc2)cc1F
InChIInChI=1S/C30H27F3O2/c1-3-35-19-25-11-10-24(18-28(25)31)21-7-4-20(5-8-21)6-9-23-14-17-27(30(33)29(23)32)22-12-15-26(34-2)16-13-22/h4-5,7-8,10-18H,3,6,9,19H2,1-2H3
InChIKeySFFMXKZGLRTPKB-UHFFFAOYSA-N
MW476.54 g/mol
LogP7.77
Rot. Bonds9

About 1-[2-[4-[4-(ethoxymethyl)-3-fluorophenyl]phenyl]ethyl]-2,3-difluoro-4-(4-methoxyphenyl)benzene

1-[2-[4-[4-(ethoxymethyl)-3-fluorophenyl]phenyl]ethyl]-2,3-difluoro-4-(4-methoxyphenyl)benzene (PubChem CID 70946204) has the molecular formula C30H27F3O2 and a molecular weight of 476.54 g/mol. Its IUPAC name is 1-[2-[4-[4-(ethoxymethyl)-3-fluorophenyl]phenyl]ethyl]-2,3-difluoro-4-(4-methoxyphenyl)benzene.

Molecular Properties

Compound Name1-[2-[4-[4-(ethoxymethyl)-3-fluorophenyl]phenyl]ethyl]-2,3-difluoro-4-(4-methoxyphenyl)benzene
PubChem CID70946204
Molecular FormulaC30H27F3O2
Molecular Weight476.54 g/mol
Exact Mass476.20
IUPAC Name1-[2-[4-[4-(ethoxymethyl)-3-fluorophenyl]phenyl]ethyl]-2,3-difluoro-4-(4-methoxyphenyl)benzene
SMILESCCOCc1ccc(-c2ccc(CCc3ccc(-c4ccc(OC)cc4)c(F)c3F)cc2)cc1F
InChIInChI=1S/C30H27F3O2/c1-3-35-19-25-11-10-24(18-28(25)31)21-7-4-20(5-8-21)6-9-23-14-17-27(30(33)29(23)32)22-12-15-26(34-2)16-13-22/h4-5,7-8,10-18H,3,6,9,19H2,1-2H3
InChIKeySFFMXKZGLRTPKB-UHFFFAOYSA-N
XLogP7.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.54
LogP ≤ 57.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[4-(ethoxymethyl)-3-fluorophenyl]phenyl] 2,3-difluoro-4-(4-methoxyphenyl)benzoate
CID 89124625
5-[4-[2-[4-[4-(ethoxymethyl)-2,3-difluorophenyl]phenyl]ethyl]-2,3-difluorophenyl]-2-methoxypyrimidine
CID 70946215
1-[2-[4-[4-(ethoxymethyl)-3-fluorophenyl]phenyl]ethyl]-2,3-difluoro-4-(4-methoxycyclohexen-1-yl)benzene
CID 70946080
1-[4-[2,3-difluoro-4-(4-methoxyphenyl)phenyl]cyclohexyl]-4-(ethoxymethyl)-2,3-difluorobenzene
CID 70946168
1-ethoxy-4-[2-[4-[4-(4-ethoxyphenyl)-2,3-difluorophenyl]phenyl]ethyl]-2,3-difluorobenzene
CID 89430735
1-[2-[4-(4-but-3-enoxy-3-fluorophenyl)phenyl]ethyl]-4-(4-ethoxyphenyl)-2,3-difluorobenzene
CID 89429787
2-fluoro-4-[2-(4-methoxyphenyl)ethyl]-1-(4-propylphenyl)benzene
CID 19906916
2,3-difluoro-1-(2-methoxyethyl)-4-(4-methoxyphenyl)benzene
CID 90128765
2-fluoro-1-(3-fluoro-4-pentylphenyl)-4-(4-methoxyphenyl)benzene
CID 23391170
1-[2-[4-(2,3-difluoro-4-methoxyphenyl)phenyl]ethyl]-2,3-difluoro-4-phenylbenzene
CID 163764553
1-[(E)-2-[4-[4-(ethoxymethyl)-2-fluorophenyl]phenyl]ethenyl]-2,3-difluoro-4-(4-methoxyphenyl)benzene
CID 89124833
[4-[2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]ethyl]-3-fluorophenyl]methanol
CID 58141328

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[4-(ethoxymethyl)-3-fluorophenyl]phenyl]ethyl]-2,3-difluoro-4-(4-methoxyphenyl)benzene?
The IUPAC name of 1-[2-[4-[4-(ethoxymethyl)-3-fluorophenyl]phenyl]ethyl]-2,3-difluoro-4-(4-methoxyphenyl)benzene (CID 70946204) is 1-[2-[4-[4-(ethoxymethyl)-3-fluorophenyl]phenyl]ethyl]-2,3-difluoro-4-(4-methoxyphenyl)benzene.
What is the SMILES notation for 1-[2-[4-[4-(ethoxymethyl)-3-fluorophenyl]phenyl]ethyl]-2,3-difluoro-4-(4-methoxyphenyl)benzene?
The canonical SMILES for 1-[2-[4-[4-(ethoxymethyl)-3-fluorophenyl]phenyl]ethyl]-2,3-difluoro-4-(4-methoxyphenyl)benzene is CCOCc1ccc(-c2ccc(CCc3ccc(-c4ccc(OC)cc4)c(F)c3F)cc2)cc1F.
What is the InChIKey of 1-[2-[4-[4-(ethoxymethyl)-3-fluorophenyl]phenyl]ethyl]-2,3-difluoro-4-(4-methoxyphenyl)benzene?
The InChIKey is SFFMXKZGLRTPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27F3O2/c1-3-35-19-25-11-10-24(18-28(25)31)21-7-4-20(5-8-21)6-9-23-14-17-27(30(33)29(23)32)22-12-15-26(34-2)16-13-22/h4-5,7-8,10-18H,3,6,9,19H2,1-2H3.
What are the key properties of 1-[2-[4-[4-(ethoxymethyl)-3-fluorophenyl]phenyl]ethyl]-2,3-difluoro-4-(4-methoxyphenyl)benzene?
1-[2-[4-[4-(ethoxymethyl)-3-fluorophenyl]phenyl]ethyl]-2,3-difluoro-4-(4-methoxyphenyl)benzene has a molecular weight of 476.54 g/mol, XLogP of 7.77, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[4-(ethoxymethyl)-3-fluorophenyl]phenyl]ethyl]-2,3-difluoro-4-(4-methoxyphenyl)benzene is sourced from PubChem (CID 70946204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).