4-[3-(4-ethoxyphenyl)-2-[3-(4-ethoxyphenyl)-1-[4-fluoro-3-(4-fluorophenoxy)phenyl]-3-methylbutan-2-yl]oxy-3-methylbutyl]-1-fluoro-2-(4-fluorophenoxy)benzene

C50H50F4O5 — CID 67930594

IUPAC4-[3-(4-ethoxyphenyl)-2-[3-(4-ethoxyphenyl)-1-[4-fluoro-3-(4-fluorophenoxy)phenyl]-3-methylbutan-2-yl]oxy-3-methylbutyl]-1-fluoro-2-(4-fluorophenoxy)benzene
SMILESCCOc1ccc(C(C)(C)C(Cc2ccc(F)c(Oc3ccc(F)cc3)c2)OC(Cc2ccc(F)c(Oc3ccc(F)cc3)c2)C(C)(C)c2ccc(OCC)cc2)cc1
InChIInChI=1S/C50H50F4O5/c1-7-55-39-19-11-35(12-20-39)49(3,4)47(31-33-9-27-43(53)45(29-33)57-41-23-15-37(51)16-24-41)59-48(50(5,6)36-13-21-40(22-14-36)56-8-2)32-34-10-28-44(54)46(30-34)58-42-25-17-38(52)18-26-42/h9-30,47-48H,7-8,31-32H2,1-6H3
InChIKeyPBEFBWRYQCTYPB-UHFFFAOYSA-N
MW806.94 g/mol
LogP13.12
Rot. Bonds18

About 4-[3-(4-ethoxyphenyl)-2-[3-(4-ethoxyphenyl)-1-[4-fluoro-3-(4-fluorophenoxy)phenyl]-3-methylbutan-2-yl]oxy-3-methylbutyl]-1-fluoro-2-(4-fluorophenoxy)benzene

4-[3-(4-ethoxyphenyl)-2-[3-(4-ethoxyphenyl)-1-[4-fluoro-3-(4-fluorophenoxy)phenyl]-3-methylbutan-2-yl]oxy-3-methylbutyl]-1-fluoro-2-(4-fluorophenoxy)benzene (PubChem CID 67930594) has the molecular formula C50H50F4O5 and a molecular weight of 806.94 g/mol. Its IUPAC name is 4-[3-(4-ethoxyphenyl)-2-[3-(4-ethoxyphenyl)-1-[4-fluoro-3-(4-fluorophenoxy)phenyl]-3-methylbutan-2-yl]oxy-3-methylbutyl]-1-fluoro-2-(4-fluorophenoxy)benzene.

Molecular Properties

Compound Name4-[3-(4-ethoxyphenyl)-2-[3-(4-ethoxyphenyl)-1-[4-fluoro-3-(4-fluorophenoxy)phenyl]-3-methylbutan-2-yl]oxy-3-methylbutyl]-1-fluoro-2-(4-fluorophenoxy)benzene
PubChem CID67930594
Molecular FormulaC50H50F4O5
Molecular Weight806.94 g/mol
Exact Mass806.36
IUPAC Name4-[3-(4-ethoxyphenyl)-2-[3-(4-ethoxyphenyl)-1-[4-fluoro-3-(4-fluorophenoxy)phenyl]-3-methylbutan-2-yl]oxy-3-methylbutyl]-1-fluoro-2-(4-fluorophenoxy)benzene
SMILESCCOc1ccc(C(C)(C)C(Cc2ccc(F)c(Oc3ccc(F)cc3)c2)OC(Cc2ccc(F)c(Oc3ccc(F)cc3)c2)C(C)(C)c2ccc(OCC)cc2)cc1
InChIInChI=1S/C50H50F4O5/c1-7-55-39-19-11-35(12-20-39)49(3,4)47(31-33-9-27-43(53)45(29-33)57-41-23-15-37(51)16-24-41)59-48(50(5,6)36-13-21-40(22-14-36)56-8-2)32-34-10-28-44(54)46(30-34)58-42-25-17-38(52)18-26-42/h9-30,47-48H,7-8,31-32H2,1-6H3
InChIKeyPBEFBWRYQCTYPB-UHFFFAOYSA-N
XLogP13.12
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500806.94
LogP ≤ 513.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[3-(4-ethoxyphenyl)-2-[3-(4-ethoxyphenyl)-1-[4-fluoro-3-(4-fluorophenoxy)phenyl]-3-methylbutan-2-yl]oxy-3-methylbutyl]-1-fluoro-2-(4-fluorophenoxy)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[2-(4-ethoxyphenyl)-2-methylpropoxy]methyl]-1-fluoro-2-phenoxybenzene
CID 15582662
1-ethoxy-4-[3-[3-(4-ethoxyphenyl)-1-(4-fluorophenyl)-3-methyl-4-phenoxybutan-2-yl]oxy-4-(4-fluorophenyl)-2-methyl-1-phenoxybutan-2-yl]benzene
CID 67753544
2-(4-bromophenoxy)-4-[4-(4-ethoxyphenyl)-4-methylpentyl]-1-fluorobenzene
CID 21269692
4-[[2-(4-ethoxyphenyl)-3,3,3-trifluoro-2-methoxypropoxy]methyl]-1-fluoro-2-phenoxybenzene
CID 14516985
1-(4-ethoxyphenyl)-2-(4-fluorophenyl)-2-methylpropan-1-ol
CID 64769720
2-[4-fluoro-3-(4-fluorophenoxy)phenyl]acetonitrile
CID 54234925
4-[4-(4-ethoxyphenyl)-4-propan-2-ylhex-5-ynyl]-1-fluoro-2-phenoxybenzene
CID 88646070
1-fluoro-4-[[2-methyl-2-[4-(2-methylpropoxy)phenyl]propoxy]methyl]-2-phenoxybenzene
CID 15582667
3-(4-ethoxyphenyl)-3-methyl-1-(3-phenoxyphenyl)butan-2-ol
CID 68720967
ethane;1-ethoxy-4-fluorobenzene
CID 143106824
cyclopropyl 2-fluoro-4-(4-fluoro-3-phenoxyphenyl)-3-hydroxy-2-methylbutanoate
CID 70013522
CID 143888632
CID 143888632

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-ethoxyphenyl)-2-[3-(4-ethoxyphenyl)-1-[4-fluoro-3-(4-fluorophenoxy)phenyl]-3-methylbutan-2-yl]oxy-3-methylbutyl]-1-fluoro-2-(4-fluorophenoxy)benzene?
The IUPAC name of 4-[3-(4-ethoxyphenyl)-2-[3-(4-ethoxyphenyl)-1-[4-fluoro-3-(4-fluorophenoxy)phenyl]-3-methylbutan-2-yl]oxy-3-methylbutyl]-1-fluoro-2-(4-fluorophenoxy)benzene (CID 67930594) is 4-[3-(4-ethoxyphenyl)-2-[3-(4-ethoxyphenyl)-1-[4-fluoro-3-(4-fluorophenoxy)phenyl]-3-methylbutan-2-yl]oxy-3-methylbutyl]-1-fluoro-2-(4-fluorophenoxy)benzene.
What is the SMILES notation for 4-[3-(4-ethoxyphenyl)-2-[3-(4-ethoxyphenyl)-1-[4-fluoro-3-(4-fluorophenoxy)phenyl]-3-methylbutan-2-yl]oxy-3-methylbutyl]-1-fluoro-2-(4-fluorophenoxy)benzene?
The canonical SMILES for 4-[3-(4-ethoxyphenyl)-2-[3-(4-ethoxyphenyl)-1-[4-fluoro-3-(4-fluorophenoxy)phenyl]-3-methylbutan-2-yl]oxy-3-methylbutyl]-1-fluoro-2-(4-fluorophenoxy)benzene is CCOc1ccc(C(C)(C)C(Cc2ccc(F)c(Oc3ccc(F)cc3)c2)OC(Cc2ccc(F)c(Oc3ccc(F)cc3)c2)C(C)(C)c2ccc(OCC)cc2)cc1.
What is the InChIKey of 4-[3-(4-ethoxyphenyl)-2-[3-(4-ethoxyphenyl)-1-[4-fluoro-3-(4-fluorophenoxy)phenyl]-3-methylbutan-2-yl]oxy-3-methylbutyl]-1-fluoro-2-(4-fluorophenoxy)benzene?
The InChIKey is PBEFBWRYQCTYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H50F4O5/c1-7-55-39-19-11-35(12-20-39)49(3,4)47(31-33-9-27-43(53)45(29-33)57-41-23-15-37(51)16-24-41)59-48(50(5,6)36-13-21-40(22-14-36)56-8-2)32-34-10-28-44(54)46(30-34)58-42-25-17-38(52)18-26-42/h9-30,47-48H,7-8,31-32H2,1-6H3.
What are the key properties of 4-[3-(4-ethoxyphenyl)-2-[3-(4-ethoxyphenyl)-1-[4-fluoro-3-(4-fluorophenoxy)phenyl]-3-methylbutan-2-yl]oxy-3-methylbutyl]-1-fluoro-2-(4-fluorophenoxy)benzene?
4-[3-(4-ethoxyphenyl)-2-[3-(4-ethoxyphenyl)-1-[4-fluoro-3-(4-fluorophenoxy)phenyl]-3-methylbutan-2-yl]oxy-3-methylbutyl]-1-fluoro-2-(4-fluorophenoxy)benzene has a molecular weight of 806.94 g/mol, XLogP of 13.12, 18 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-ethoxyphenyl)-2-[3-(4-ethoxyphenyl)-1-[4-fluoro-3-(4-fluorophenoxy)phenyl]-3-methylbutan-2-yl]oxy-3-methylbutyl]-1-fluoro-2-(4-fluorophenoxy)benzene is sourced from PubChem (CID 67930594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).