1-[4-[2,3-difluoro-4-(4-methoxyphenyl)phenyl]cyclohexyl]-4-(ethoxymethyl)-2,3-difluorobenzene

C28H28F4O2 — CID 70946168

IUPAC1-[4-[2,3-difluoro-4-(4-methoxyphenyl)phenyl]cyclohexyl]-4-(ethoxymethyl)-2,3-difluorobenzene
SMILESCCOCc1ccc(C2CCC(c3ccc(-c4ccc(OC)cc4)c(F)c3F)CC2)c(F)c1F
InChIInChI=1S/C28H28F4O2/c1-3-34-16-20-10-13-22(26(30)25(20)29)17-4-6-18(7-5-17)23-14-15-24(28(32)27(23)31)19-8-11-21(33-2)12-9-19/h8-15,17-18H,3-7,16H2,1-2H3
InChIKeyDUQMUMHXMBNMQZ-UHFFFAOYSA-N
MW472.52 g/mol
LogP7.90
Rot. Bonds7

About 1-[4-[2,3-difluoro-4-(4-methoxyphenyl)phenyl]cyclohexyl]-4-(ethoxymethyl)-2,3-difluorobenzene

1-[4-[2,3-difluoro-4-(4-methoxyphenyl)phenyl]cyclohexyl]-4-(ethoxymethyl)-2,3-difluorobenzene (PubChem CID 70946168) has the molecular formula C28H28F4O2 and a molecular weight of 472.52 g/mol. Its IUPAC name is 1-[4-[2,3-difluoro-4-(4-methoxyphenyl)phenyl]cyclohexyl]-4-(ethoxymethyl)-2,3-difluorobenzene.

Molecular Properties

Compound Name1-[4-[2,3-difluoro-4-(4-methoxyphenyl)phenyl]cyclohexyl]-4-(ethoxymethyl)-2,3-difluorobenzene
PubChem CID70946168
Molecular FormulaC28H28F4O2
Molecular Weight472.52 g/mol
Exact Mass472.20
IUPAC Name1-[4-[2,3-difluoro-4-(4-methoxyphenyl)phenyl]cyclohexyl]-4-(ethoxymethyl)-2,3-difluorobenzene
SMILESCCOCc1ccc(C2CCC(c3ccc(-c4ccc(OC)cc4)c(F)c3F)CC2)c(F)c1F
InChIInChI=1S/C28H28F4O2/c1-3-34-16-20-10-13-22(26(30)25(20)29)17-4-6-18(7-5-17)23-14-15-24(28(32)27(23)31)19-8-11-21(33-2)12-9-19/h8-15,17-18H,3-7,16H2,1-2H3
InChIKeyDUQMUMHXMBNMQZ-UHFFFAOYSA-N
XLogP7.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.52
LogP ≤ 57.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[[2,3-difluoro-4-(4-methoxyphenyl)phenoxy]methyl]cyclohexyl]-4-(ethoxymethyl)-2,3-difluorobenzene
CID 70946090
1-[4-[(E)-2-[2,3-difluoro-4-(4-methoxyphenyl)phenyl]ethenyl]cyclohexyl]-4-(ethoxymethyl)-2,3-difluorobenzene
CID 89124531
1-[[4-[2,3-difluoro-4-(4-methoxycyclohexyl)phenyl]phenoxy]methyl]-4-ethoxy-2,3-difluorobenzene
CID 70946147
1-[4-[(E)-2-[4-(ethoxymethyl)-2-fluorophenyl]ethenyl]cyclohexyl]-2,3-difluoro-4-(4-methoxyphenyl)benzene
CID 89124871
[4-(ethoxymethyl)-3-fluorophenyl] 4-[2,3-difluoro-4-(4-methoxycyclohexyl)phenyl]benzoate
CID 89124812
2-[4-[[4-[2,3-difluoro-4-(4-methoxyphenyl)phenyl]cyclohexyl]oxymethyl]-3-fluorophenyl]oxirane
CID 88964208
2-[4-[4-[[2,3-difluoro-4-(4-methoxyphenyl)phenyl]methoxy]phenyl]-2,3-difluorophenyl]oxirane
CID 88963639
1-(ethoxymethyl)-2,3-difluoro-4-[4-(2-fluoro-4-methylphenyl)cyclohexyl]benzene
CID 58141163
1-(4-butoxycyclohexyl)-4-[4-[(4-ethoxy-2,3-difluorophenyl)methoxy]phenyl]-2,3-difluorobenzene
CID 89430551
1-[2-[4-(2,3-difluoro-4-methoxyphenyl)phenyl]ethyl]-2,3-difluoro-4-(4-methylcyclohexyl)benzene
CID 143909052
1-[4-[2-(2,3-difluoro-4-methoxyphenyl)ethynyl]cyclohexyl]-4-(ethoxymethyl)-2,3-difluorobenzene
CID 70961295
1-butyl-4-[4-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]phenyl]-2,3-difluorobenzene
CID 70820686

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2,3-difluoro-4-(4-methoxyphenyl)phenyl]cyclohexyl]-4-(ethoxymethyl)-2,3-difluorobenzene?
The IUPAC name of 1-[4-[2,3-difluoro-4-(4-methoxyphenyl)phenyl]cyclohexyl]-4-(ethoxymethyl)-2,3-difluorobenzene (CID 70946168) is 1-[4-[2,3-difluoro-4-(4-methoxyphenyl)phenyl]cyclohexyl]-4-(ethoxymethyl)-2,3-difluorobenzene.
What is the SMILES notation for 1-[4-[2,3-difluoro-4-(4-methoxyphenyl)phenyl]cyclohexyl]-4-(ethoxymethyl)-2,3-difluorobenzene?
The canonical SMILES for 1-[4-[2,3-difluoro-4-(4-methoxyphenyl)phenyl]cyclohexyl]-4-(ethoxymethyl)-2,3-difluorobenzene is CCOCc1ccc(C2CCC(c3ccc(-c4ccc(OC)cc4)c(F)c3F)CC2)c(F)c1F.
What is the InChIKey of 1-[4-[2,3-difluoro-4-(4-methoxyphenyl)phenyl]cyclohexyl]-4-(ethoxymethyl)-2,3-difluorobenzene?
The InChIKey is DUQMUMHXMBNMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F4O2/c1-3-34-16-20-10-13-22(26(30)25(20)29)17-4-6-18(7-5-17)23-14-15-24(28(32)27(23)31)19-8-11-21(33-2)12-9-19/h8-15,17-18H,3-7,16H2,1-2H3.
What are the key properties of 1-[4-[2,3-difluoro-4-(4-methoxyphenyl)phenyl]cyclohexyl]-4-(ethoxymethyl)-2,3-difluorobenzene?
1-[4-[2,3-difluoro-4-(4-methoxyphenyl)phenyl]cyclohexyl]-4-(ethoxymethyl)-2,3-difluorobenzene has a molecular weight of 472.52 g/mol, XLogP of 7.90, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2,3-difluoro-4-(4-methoxyphenyl)phenyl]cyclohexyl]-4-(ethoxymethyl)-2,3-difluorobenzene is sourced from PubChem (CID 70946168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).