1-[difluoro-[4-(4-propylcyclohexyl)phenyl]methoxy]-4-ethoxybenzene

C24H30F2O2 — CID 153454405

IUPAC1-[difluoro-[4-(4-propylcyclohexyl)phenyl]methoxy]-4-ethoxybenzene
SMILESCCCC1CCC(c2ccc(C(F)(F)Oc3ccc(OCC)cc3)cc2)CC1
InChIInChI=1S/C24H30F2O2/c1-3-5-18-6-8-19(9-7-18)20-10-12-21(13-11-20)24(25,26)28-23-16-14-22(15-17-23)27-4-2/h10-19H,3-9H2,1-2H3
InChIKeyKWUSKGVYEMVEFR-UHFFFAOYSA-N
MW388.50 g/mol
LogP7.29
Rot. Bonds8

About 1-[difluoro-[4-(4-propylcyclohexyl)phenyl]methoxy]-4-ethoxybenzene

1-[difluoro-[4-(4-propylcyclohexyl)phenyl]methoxy]-4-ethoxybenzene (PubChem CID 153454405) has the molecular formula C24H30F2O2 and a molecular weight of 388.50 g/mol. Its IUPAC name is 1-[difluoro-[4-(4-propylcyclohexyl)phenyl]methoxy]-4-ethoxybenzene.

Molecular Properties

Compound Name1-[difluoro-[4-(4-propylcyclohexyl)phenyl]methoxy]-4-ethoxybenzene
PubChem CID153454405
Molecular FormulaC24H30F2O2
Molecular Weight388.50 g/mol
Exact Mass388.22
IUPAC Name1-[difluoro-[4-(4-propylcyclohexyl)phenyl]methoxy]-4-ethoxybenzene
SMILESCCCC1CCC(c2ccc(C(F)(F)Oc3ccc(OCC)cc3)cc2)CC1
InChIInChI=1S/C24H30F2O2/c1-3-5-18-6-8-19(9-7-18)20-10-12-21(13-11-20)24(25,26)28-23-16-14-22(15-17-23)27-4-2/h10-19H,3-9H2,1-2H3
InChIKeyKWUSKGVYEMVEFR-UHFFFAOYSA-N
XLogP7.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.50
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[difluoro-(4-fluorophenoxy)methyl]-4-(4-propylcyclohexyl)benzene
CID 19064157
5-[difluoro-[4-(4-propylcyclohexyl)phenyl]methoxy]-1,2,3-trifluorobenzene
CID 70176343
1-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]-4-(trifluoromethoxy)benzene
CID 19695352
1-[tert-butylperoxy(difluoro)methyl]-4-(4-propylcyclohexyl)benzene
CID 10172158
1-(4-butylcyclohexyl)-4-ethoxybenzene
CID 3019938
4-[[4-(4-ethylcyclohexyl)phenyl]-difluoromethoxy]benzonitrile
CID 67595253
1-ethoxy-4-[4-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]phenyl]benzene
CID 67864703
4-[[4-(4-butylcyclohexyl)phenyl]-difluoromethoxy]-2-fluoro-1-(trifluoromethyl)benzene;4-[difluoro-[4-(4-propylcyclohexyl)phenyl]methoxy]-2-fluoro-1-(trifluoromethyl)benzene;methane
CID 160811694
1-[difluoro-[4-(4-propylcyclohexyl)phenyl]methoxy]-4-methoxy-2,3-bis(trifluoromethyl)benzene
CID 20750897
1-[difluoro-[4-(4-methoxycyclohexyl)phenoxy]methyl]-4-propylbenzene
CID 59940202
3-[4-[4-[difluoro-(4-methylphenyl)methoxy]phenyl]cyclohexyl]propanal
CID 162547849
1-(4-propylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenoxy]benzene
CID 19700194

Frequently Asked Questions

What is the IUPAC name of 1-[difluoro-[4-(4-propylcyclohexyl)phenyl]methoxy]-4-ethoxybenzene?
The IUPAC name of 1-[difluoro-[4-(4-propylcyclohexyl)phenyl]methoxy]-4-ethoxybenzene (CID 153454405) is 1-[difluoro-[4-(4-propylcyclohexyl)phenyl]methoxy]-4-ethoxybenzene.
What is the SMILES notation for 1-[difluoro-[4-(4-propylcyclohexyl)phenyl]methoxy]-4-ethoxybenzene?
The canonical SMILES for 1-[difluoro-[4-(4-propylcyclohexyl)phenyl]methoxy]-4-ethoxybenzene is CCCC1CCC(c2ccc(C(F)(F)Oc3ccc(OCC)cc3)cc2)CC1.
What is the InChIKey of 1-[difluoro-[4-(4-propylcyclohexyl)phenyl]methoxy]-4-ethoxybenzene?
The InChIKey is KWUSKGVYEMVEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F2O2/c1-3-5-18-6-8-19(9-7-18)20-10-12-21(13-11-20)24(25,26)28-23-16-14-22(15-17-23)27-4-2/h10-19H,3-9H2,1-2H3.
What are the key properties of 1-[difluoro-[4-(4-propylcyclohexyl)phenyl]methoxy]-4-ethoxybenzene?
1-[difluoro-[4-(4-propylcyclohexyl)phenyl]methoxy]-4-ethoxybenzene has a molecular weight of 388.50 g/mol, XLogP of 7.29, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[difluoro-[4-(4-propylcyclohexyl)phenyl]methoxy]-4-ethoxybenzene is sourced from PubChem (CID 153454405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).