2-chloro-4-[3-[3-(3-chloro-4-propan-2-yloxyphenyl)-1-(4-fluoro-3-phenoxyphenyl)-3-methylbutan-2-yl]oxy-4-(4-fluoro-3-phenoxyphenyl)-2-methylbutan-2-yl]-1-propan-2-yloxybenzene

C52H54Cl2F2O5 — CID 139636484

IUPAC2-chloro-4-[3-[3-(3-chloro-4-propan-2-yloxyphenyl)-1-(4-fluoro-3-phenoxyphenyl)-3-methylbutan-2-yl]oxy-4-(4-fluoro-3-phenoxyphenyl)-2-methylbutan-2-yl]-1-propan-2-yloxybenzene
SMILESCC(C)Oc1ccc(C(C)(C)C(Cc2ccc(F)c(Oc3ccccc3)c2)OC(Cc2ccc(F)c(Oc3ccccc3)c2)C(C)(C)c2ccc(OC(C)C)c(Cl)c2)cc1Cl
InChIInChI=1S/C52H54Cl2F2O5/c1-33(2)57-45-25-21-37(31-41(45)53)51(5,6)49(29-35-19-23-43(55)47(27-35)59-39-15-11-9-12-16-39)61-50(52(7,8)38-22-26-46(42(54)32-38)58-34(3)4)30-36-20-24-44(56)48(28-36)60-40-17-13-10-14-18-40/h9-28,31-34,49-50H,29-30H2,1-8H3
InChIKeyQZROIIYRASCQBA-UHFFFAOYSA-N
MW867.90 g/mol
LogP14.93
Rot. Bonds18

About 2-chloro-4-[3-[3-(3-chloro-4-propan-2-yloxyphenyl)-1-(4-fluoro-3-phenoxyphenyl)-3-methylbutan-2-yl]oxy-4-(4-fluoro-3-phenoxyphenyl)-2-methylbutan-2-yl]-1-propan-2-yloxybenzene

2-chloro-4-[3-[3-(3-chloro-4-propan-2-yloxyphenyl)-1-(4-fluoro-3-phenoxyphenyl)-3-methylbutan-2-yl]oxy-4-(4-fluoro-3-phenoxyphenyl)-2-methylbutan-2-yl]-1-propan-2-yloxybenzene (PubChem CID 139636484) has the molecular formula C52H54Cl2F2O5 and a molecular weight of 867.90 g/mol. Its IUPAC name is 2-chloro-4-[3-[3-(3-chloro-4-propan-2-yloxyphenyl)-1-(4-fluoro-3-phenoxyphenyl)-3-methylbutan-2-yl]oxy-4-(4-fluoro-3-phenoxyphenyl)-2-methylbutan-2-yl]-1-propan-2-yloxybenzene.

Molecular Properties

Compound Name2-chloro-4-[3-[3-(3-chloro-4-propan-2-yloxyphenyl)-1-(4-fluoro-3-phenoxyphenyl)-3-methylbutan-2-yl]oxy-4-(4-fluoro-3-phenoxyphenyl)-2-methylbutan-2-yl]-1-propan-2-yloxybenzene
PubChem CID139636484
Molecular FormulaC52H54Cl2F2O5
Molecular Weight867.90 g/mol
Exact Mass866.33
IUPAC Name2-chloro-4-[3-[3-(3-chloro-4-propan-2-yloxyphenyl)-1-(4-fluoro-3-phenoxyphenyl)-3-methylbutan-2-yl]oxy-4-(4-fluoro-3-phenoxyphenyl)-2-methylbutan-2-yl]-1-propan-2-yloxybenzene
SMILESCC(C)Oc1ccc(C(C)(C)C(Cc2ccc(F)c(Oc3ccccc3)c2)OC(Cc2ccc(F)c(Oc3ccccc3)c2)C(C)(C)c2ccc(OC(C)C)c(Cl)c2)cc1Cl
InChIInChI=1S/C52H54Cl2F2O5/c1-33(2)57-45-25-21-37(31-41(45)53)51(5,6)49(29-35-19-23-43(55)47(27-35)59-39-15-11-9-12-16-39)61-50(52(7,8)38-22-26-46(42(54)32-38)58-34(3)4)30-36-20-24-44(56)48(28-36)60-40-17-13-10-14-18-40/h9-28,31-34,49-50H,29-30H2,1-8H3
InChIKeyQZROIIYRASCQBA-UHFFFAOYSA-N
XLogP14.93
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500867.90
LogP ≤ 514.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-chloro-4-[3-[3-(3-chloro-4-propan-2-yloxyphenyl)-1-(4-fluoro-3-phenoxyphenyl)-3-methylbutan-2-yl]oxy-4-(4-fluoro-3-phenoxyphenyl)-2-methylbutan-2-yl]-1-propan-2-yloxybenzene with MolForge

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Related Compounds

Benzene, 1-((2-(3-chloro-4-fluorophenyl)-2-methylpropoxy)methyl)-3-(4-fluorophenoxy)-
CID 3067163
3-Chloro-4-ethoxyneophyl 3-phenoxybenzyl ether
CID 3067183
Benzene, 4-((2-(3-chloro-4-ethoxyphenyl)-2-methylpropoxy)methyl)-1-fluoro-2-phenoxy-
CID 3068497
2-Chloro-4-[2-(3-chloro-4-phenylmethoxyphenyl)-1,1,2,2-tetrafluoroethyl]-1-phenylmethoxybenzene
CID 12084322
2-Chloro-1-ethoxy-4-[5-(4-fluoro-3-phenoxyphenyl)-2-methylpentan-2-yl]benzene
CID 13475424
2-Chloro-1-ethoxy-4-[5-[4-fluoro-3-(4-fluorophenoxy)phenyl]-2-methylpentan-2-yl]benzene
CID 13475434
2-Chloro-1-ethoxy-4-[6-(4-fluoro-3-phenoxyphenyl)-3-methylhex-1-yn-3-yl]benzene
CID 14279529
2-Chloro-1-ethoxy-4-[1,1,1-trifluoro-3-[(4-fluoro-3-phenoxyphenyl)methoxy]propan-2-yl]benzene
CID 14580800
2-Chloro-1-ethoxy-4-[1,1,1-trifluoro-3-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene
CID 14580805
2-(3-Chloro-4-ethoxyphenyl)-3,3,3-trifluoropropyl 3-(4-fluorophenoxy)benzyl ether
CID 14580815
2-Chloro-1-fluoro-4-[1-[(4-fluoro-3-phenoxyphenyl)methoxy]-2-methylpropan-2-yl]benzene
CID 15582669
2-Chloro-1-ethoxy-4-[1-[(2-fluoro-5-phenoxyphenyl)methoxy]-2-methylpropan-2-yl]benzene
CID 15590574

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[3-[3-(3-chloro-4-propan-2-yloxyphenyl)-1-(4-fluoro-3-phenoxyphenyl)-3-methylbutan-2-yl]oxy-4-(4-fluoro-3-phenoxyphenyl)-2-methylbutan-2-yl]-1-propan-2-yloxybenzene?
The IUPAC name of 2-chloro-4-[3-[3-(3-chloro-4-propan-2-yloxyphenyl)-1-(4-fluoro-3-phenoxyphenyl)-3-methylbutan-2-yl]oxy-4-(4-fluoro-3-phenoxyphenyl)-2-methylbutan-2-yl]-1-propan-2-yloxybenzene (CID 139636484) is 2-chloro-4-[3-[3-(3-chloro-4-propan-2-yloxyphenyl)-1-(4-fluoro-3-phenoxyphenyl)-3-methylbutan-2-yl]oxy-4-(4-fluoro-3-phenoxyphenyl)-2-methylbutan-2-yl]-1-propan-2-yloxybenzene.
What is the SMILES notation for 2-chloro-4-[3-[3-(3-chloro-4-propan-2-yloxyphenyl)-1-(4-fluoro-3-phenoxyphenyl)-3-methylbutan-2-yl]oxy-4-(4-fluoro-3-phenoxyphenyl)-2-methylbutan-2-yl]-1-propan-2-yloxybenzene?
The canonical SMILES for 2-chloro-4-[3-[3-(3-chloro-4-propan-2-yloxyphenyl)-1-(4-fluoro-3-phenoxyphenyl)-3-methylbutan-2-yl]oxy-4-(4-fluoro-3-phenoxyphenyl)-2-methylbutan-2-yl]-1-propan-2-yloxybenzene is CC(C)Oc1ccc(C(C)(C)C(Cc2ccc(F)c(Oc3ccccc3)c2)OC(Cc2ccc(F)c(Oc3ccccc3)c2)C(C)(C)c2ccc(OC(C)C)c(Cl)c2)cc1Cl.
What is the InChIKey of 2-chloro-4-[3-[3-(3-chloro-4-propan-2-yloxyphenyl)-1-(4-fluoro-3-phenoxyphenyl)-3-methylbutan-2-yl]oxy-4-(4-fluoro-3-phenoxyphenyl)-2-methylbutan-2-yl]-1-propan-2-yloxybenzene?
The InChIKey is QZROIIYRASCQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H54Cl2F2O5/c1-33(2)57-45-25-21-37(31-41(45)53)51(5,6)49(29-35-19-23-43(55)47(27-35)59-39-15-11-9-12-16-39)61-50(52(7,8)38-22-26-46(42(54)32-38)58-34(3)4)30-36-20-24-44(56)48(28-36)60-40-17-13-10-14-18-40/h9-28,31-34,49-50H,29-30H2,1-8H3.
What are the key properties of 2-chloro-4-[3-[3-(3-chloro-4-propan-2-yloxyphenyl)-1-(4-fluoro-3-phenoxyphenyl)-3-methylbutan-2-yl]oxy-4-(4-fluoro-3-phenoxyphenyl)-2-methylbutan-2-yl]-1-propan-2-yloxybenzene?
2-chloro-4-[3-[3-(3-chloro-4-propan-2-yloxyphenyl)-1-(4-fluoro-3-phenoxyphenyl)-3-methylbutan-2-yl]oxy-4-(4-fluoro-3-phenoxyphenyl)-2-methylbutan-2-yl]-1-propan-2-yloxybenzene has a molecular weight of 867.90 g/mol, XLogP of 14.93, 18 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[3-[3-(3-chloro-4-propan-2-yloxyphenyl)-1-(4-fluoro-3-phenoxyphenyl)-3-methylbutan-2-yl]oxy-4-(4-fluoro-3-phenoxyphenyl)-2-methylbutan-2-yl]-1-propan-2-yloxybenzene is sourced from PubChem (CID 139636484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).