1-[cyclohexyl-(4-propylcyclohexyl)methoxy]-4-ethoxy-2,3-difluorobenzene

C24H36F2O2 — CID 162718702

IUPAC1-[cyclohexyl-(4-propylcyclohexyl)methoxy]-4-ethoxy-2,3-difluorobenzene
SMILESCCCC1CCC(C(Oc2ccc(OCC)c(F)c2F)C2CCCCC2)CC1
InChIInChI=1S/C24H36F2O2/c1-3-8-17-11-13-19(14-12-17)24(18-9-6-5-7-10-18)28-21-16-15-20(27-4-2)22(25)23(21)26/h15-19,24H,3-14H2,1-2H3
InChIKeyZDAUJNIHZYKRRO-UHFFFAOYSA-N
MW394.55 g/mol
LogP7.30
Rot. Bonds8

About 1-[cyclohexyl-(4-propylcyclohexyl)methoxy]-4-ethoxy-2,3-difluorobenzene

1-[cyclohexyl-(4-propylcyclohexyl)methoxy]-4-ethoxy-2,3-difluorobenzene (PubChem CID 162718702) has the molecular formula C24H36F2O2 and a molecular weight of 394.55 g/mol. Its IUPAC name is 1-[cyclohexyl-(4-propylcyclohexyl)methoxy]-4-ethoxy-2,3-difluorobenzene.

Molecular Properties

Compound Name1-[cyclohexyl-(4-propylcyclohexyl)methoxy]-4-ethoxy-2,3-difluorobenzene
PubChem CID162718702
Molecular FormulaC24H36F2O2
Molecular Weight394.55 g/mol
Exact Mass394.27
IUPAC Name1-[cyclohexyl-(4-propylcyclohexyl)methoxy]-4-ethoxy-2,3-difluorobenzene
SMILESCCCC1CCC(C(Oc2ccc(OCC)c(F)c2F)C2CCCCC2)CC1
InChIInChI=1S/C24H36F2O2/c1-3-8-17-11-13-19(14-12-17)24(18-9-6-5-7-10-18)28-21-16-15-20(27-4-2)22(25)23(21)26/h15-19,24H,3-14H2,1-2H3
InChIKeyZDAUJNIHZYKRRO-UHFFFAOYSA-N
XLogP7.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.55
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethoxy-2,3-difluoro-4-[[4-[4-(4-propylcyclohexyl)phenyl]cyclohexyl]methoxy]benzene
CID 154607154
4-[[2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]phenoxy]methyl]cyclohexane-1-carbaldehyde
CID 102522412
3-(cyclohexylmethoxy)-1,2,8-trifluoro-7-[(4-propylcyclohexyl)methoxy]biphenylene
CID 134473076
1-[2-(difluoromethyl)-4-ethoxy-3-fluorophenyl]-2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]benzene
CID 58953361
1-ethoxy-2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]-3-(trifluoromethyl)benzene
CID 58953172
1-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene
CID 18352363
2-[4-[1-[4-[(4-ethoxy-2,3-difluorophenoxy)methyl]cyclohexyl]propan-2-yl]cyclohexyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 130283220
2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]benzonitrile
CID 23052003
2-[4-[(4-ethoxy-2,3-difluorophenoxy)methyl]cyclohexyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 67954958
2,3-difluoro-1,4-bis[(3-propylcyclobutyl)methoxy]benzene
CID 153282428
[2-(difluoromethyl)-4-ethoxy-3-fluorophenyl]-(4-propylcyclohexyl)methanone
CID 118287310
1-ethoxy-2,3-difluoro-4-[[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]oxymethyl]benzene
CID 154607415

Frequently Asked Questions

What is the IUPAC name of 1-[cyclohexyl-(4-propylcyclohexyl)methoxy]-4-ethoxy-2,3-difluorobenzene?
The IUPAC name of 1-[cyclohexyl-(4-propylcyclohexyl)methoxy]-4-ethoxy-2,3-difluorobenzene (CID 162718702) is 1-[cyclohexyl-(4-propylcyclohexyl)methoxy]-4-ethoxy-2,3-difluorobenzene.
What is the SMILES notation for 1-[cyclohexyl-(4-propylcyclohexyl)methoxy]-4-ethoxy-2,3-difluorobenzene?
The canonical SMILES for 1-[cyclohexyl-(4-propylcyclohexyl)methoxy]-4-ethoxy-2,3-difluorobenzene is CCCC1CCC(C(Oc2ccc(OCC)c(F)c2F)C2CCCCC2)CC1.
What is the InChIKey of 1-[cyclohexyl-(4-propylcyclohexyl)methoxy]-4-ethoxy-2,3-difluorobenzene?
The InChIKey is ZDAUJNIHZYKRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36F2O2/c1-3-8-17-11-13-19(14-12-17)24(18-9-6-5-7-10-18)28-21-16-15-20(27-4-2)22(25)23(21)26/h15-19,24H,3-14H2,1-2H3.
What are the key properties of 1-[cyclohexyl-(4-propylcyclohexyl)methoxy]-4-ethoxy-2,3-difluorobenzene?
1-[cyclohexyl-(4-propylcyclohexyl)methoxy]-4-ethoxy-2,3-difluorobenzene has a molecular weight of 394.55 g/mol, XLogP of 7.30, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclohexyl-(4-propylcyclohexyl)methoxy]-4-ethoxy-2,3-difluorobenzene is sourced from PubChem (CID 162718702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).