1-[[4-[2,3-difluoro-4-(4-methoxycyclohexyl)phenyl]phenoxy]methyl]-4-ethoxy-2,3-difluorobenzene

C28H28F4O3 — CID 70946147

IUPAC1-[[4-[2,3-difluoro-4-(4-methoxycyclohexyl)phenyl]phenoxy]methyl]-4-ethoxy-2,3-difluorobenzene
SMILESCCOc1ccc(COc2ccc(-c3ccc(C4CCC(OC)CC4)c(F)c3F)cc2)c(F)c1F
InChIInChI=1S/C28H28F4O3/c1-3-34-24-15-8-19(25(29)28(24)32)16-35-21-11-6-18(7-12-21)23-14-13-22(26(30)27(23)31)17-4-9-20(33-2)10-5-17/h6-8,11-15,17,20H,3-5,9-10,16H2,1-2H3
InChIKeyDIGOWCKPHSUSQT-UHFFFAOYSA-N
MW488.52 g/mol
LogP7.56
Rot. Bonds8

About 1-[[4-[2,3-difluoro-4-(4-methoxycyclohexyl)phenyl]phenoxy]methyl]-4-ethoxy-2,3-difluorobenzene

1-[[4-[2,3-difluoro-4-(4-methoxycyclohexyl)phenyl]phenoxy]methyl]-4-ethoxy-2,3-difluorobenzene (PubChem CID 70946147) has the molecular formula C28H28F4O3 and a molecular weight of 488.52 g/mol. Its IUPAC name is 1-[[4-[2,3-difluoro-4-(4-methoxycyclohexyl)phenyl]phenoxy]methyl]-4-ethoxy-2,3-difluorobenzene.

Molecular Properties

Compound Name1-[[4-[2,3-difluoro-4-(4-methoxycyclohexyl)phenyl]phenoxy]methyl]-4-ethoxy-2,3-difluorobenzene
PubChem CID70946147
Molecular FormulaC28H28F4O3
Molecular Weight488.52 g/mol
Exact Mass488.20
IUPAC Name1-[[4-[2,3-difluoro-4-(4-methoxycyclohexyl)phenyl]phenoxy]methyl]-4-ethoxy-2,3-difluorobenzene
SMILESCCOc1ccc(COc2ccc(-c3ccc(C4CCC(OC)CC4)c(F)c3F)cc2)c(F)c1F
InChIInChI=1S/C28H28F4O3/c1-3-34-24-15-8-19(25(29)28(24)32)16-35-21-11-6-18(7-12-21)23-14-13-22(26(30)27(23)31)17-4-9-20(33-2)10-5-17/h6-8,11-15,17,20H,3-5,9-10,16H2,1-2H3
InChIKeyDIGOWCKPHSUSQT-UHFFFAOYSA-N
XLogP7.56
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.52
LogP ≤ 57.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[[4-[2,3-difluoro-4-(4-methoxycyclohexyl)phenyl]phenoxy]methyl]-4-ethoxy-2,3-difluorobenzene with MolForge

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Related Compounds

1-(4-butoxycyclohexyl)-4-[4-[(4-ethoxy-2,3-difluorophenyl)methoxy]phenyl]-2,3-difluorobenzene
CID 89430551
1-ethoxy-4-[4-[[4-(4-ethoxyphenyl)-2,3-difluorophenoxy]methyl]cyclohexyl]-2,3-difluorobenzene
CID 89430115
[4-(4-ethoxy-2,3-difluorophenyl)phenyl] 2,3-difluoro-4-(4-methoxycyclohexyl)benzoate
CID 89124559
1-[4-[[2,3-difluoro-4-(4-methoxyphenyl)phenoxy]methyl]cyclohexyl]-4-(ethoxymethyl)-2,3-difluorobenzene
CID 70946090
1-[4-[2,3-difluoro-4-(4-methoxyphenyl)phenyl]cyclohexyl]-4-(ethoxymethyl)-2,3-difluorobenzene
CID 70946168
1-(4-butoxyphenyl)-4-[4-[(4-ethoxy-2,3-difluorophenyl)methoxy]phenyl]-2,3-difluorobenzene
CID 89430437
1-but-3-enoxy-4-[[4-[4-(4-butoxyphenyl)-2,3-difluorophenyl]cyclohexyl]oxymethyl]-2,3-difluorobenzene
CID 89430912
1-[2-[4-[2,3-difluoro-4-(4-methoxycyclohexyl)phenyl]cyclohexyl]ethyl]-4-ethoxy-2,3-difluorobenzene
CID 89430825
4-[[4-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]cyclohexyl]oxymethyl]-2,3-difluorophenol
CID 88857177
1-[[4-(4-ethoxy-3-fluorophenyl)cyclohexyl]oxymethyl]-4-(4-ethoxyphenyl)-2,3-difluorobenzene
CID 89429667
1-ethoxy-4-[4-(4-ethyl-2,3-difluorophenyl)cyclohexyl]-2,3-difluorobenzene
CID 58140713
4-[[4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]-2,3-difluorophenoxy]methyl]-2,3-difluorophenol
CID 122643430

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[2,3-difluoro-4-(4-methoxycyclohexyl)phenyl]phenoxy]methyl]-4-ethoxy-2,3-difluorobenzene?
The IUPAC name of 1-[[4-[2,3-difluoro-4-(4-methoxycyclohexyl)phenyl]phenoxy]methyl]-4-ethoxy-2,3-difluorobenzene (CID 70946147) is 1-[[4-[2,3-difluoro-4-(4-methoxycyclohexyl)phenyl]phenoxy]methyl]-4-ethoxy-2,3-difluorobenzene.
What is the SMILES notation for 1-[[4-[2,3-difluoro-4-(4-methoxycyclohexyl)phenyl]phenoxy]methyl]-4-ethoxy-2,3-difluorobenzene?
The canonical SMILES for 1-[[4-[2,3-difluoro-4-(4-methoxycyclohexyl)phenyl]phenoxy]methyl]-4-ethoxy-2,3-difluorobenzene is CCOc1ccc(COc2ccc(-c3ccc(C4CCC(OC)CC4)c(F)c3F)cc2)c(F)c1F.
What is the InChIKey of 1-[[4-[2,3-difluoro-4-(4-methoxycyclohexyl)phenyl]phenoxy]methyl]-4-ethoxy-2,3-difluorobenzene?
The InChIKey is DIGOWCKPHSUSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F4O3/c1-3-34-24-15-8-19(25(29)28(24)32)16-35-21-11-6-18(7-12-21)23-14-13-22(26(30)27(23)31)17-4-9-20(33-2)10-5-17/h6-8,11-15,17,20H,3-5,9-10,16H2,1-2H3.
What are the key properties of 1-[[4-[2,3-difluoro-4-(4-methoxycyclohexyl)phenyl]phenoxy]methyl]-4-ethoxy-2,3-difluorobenzene?
1-[[4-[2,3-difluoro-4-(4-methoxycyclohexyl)phenyl]phenoxy]methyl]-4-ethoxy-2,3-difluorobenzene has a molecular weight of 488.52 g/mol, XLogP of 7.56, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[2,3-difluoro-4-(4-methoxycyclohexyl)phenyl]phenoxy]methyl]-4-ethoxy-2,3-difluorobenzene is sourced from PubChem (CID 70946147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).