1-(4-ethylcyclohexyl)-2,3-difluoro-4-(3-propylcyclopentyl)oxybenzene

C22H32F2O — CID 174722829

IUPAC1-(4-ethylcyclohexyl)-2,3-difluoro-4-(3-propylcyclopentyl)oxybenzene
SMILESCCCC1CCC(Oc2ccc(C3CCC(CC)CC3)c(F)c2F)C1
InChIInChI=1S/C22H32F2O/c1-3-5-16-8-11-18(14-16)25-20-13-12-19(21(23)22(20)24)17-9-6-15(4-2)7-10-17/h12-13,15-18H,3-11,14H2,1-2H3
InChIKeyAIKGEMHRDBLZHB-UHFFFAOYSA-N
MW350.49 g/mol
LogP7.00
Rot. Bonds6

About 1-(4-ethylcyclohexyl)-2,3-difluoro-4-(3-propylcyclopentyl)oxybenzene

1-(4-ethylcyclohexyl)-2,3-difluoro-4-(3-propylcyclopentyl)oxybenzene (PubChem CID 174722829) has the molecular formula C22H32F2O and a molecular weight of 350.49 g/mol. Its IUPAC name is 1-(4-ethylcyclohexyl)-2,3-difluoro-4-(3-propylcyclopentyl)oxybenzene.

Molecular Properties

Compound Name1-(4-ethylcyclohexyl)-2,3-difluoro-4-(3-propylcyclopentyl)oxybenzene
PubChem CID174722829
Molecular FormulaC22H32F2O
Molecular Weight350.49 g/mol
Exact Mass350.24
IUPAC Name1-(4-ethylcyclohexyl)-2,3-difluoro-4-(3-propylcyclopentyl)oxybenzene
SMILESCCCC1CCC(Oc2ccc(C3CCC(CC)CC3)c(F)c2F)C1
InChIInChI=1S/C22H32F2O/c1-3-5-16-8-11-18(14-16)25-20-13-12-19(21(23)22(20)24)17-9-6-15(4-2)7-10-17/h12-13,15-18H,3-11,14H2,1-2H3
InChIKeyAIKGEMHRDBLZHB-UHFFFAOYSA-N
XLogP7.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.49
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-2,3-difluoro-4-(3-propylcyclopentyl)oxybenzene
CID 118362130
1-but-1-enoxy-2,3-difluoro-4-(4-propylcyclohexyl)benzene
CID 123313096
1-butoxy-2,3-difluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene
CID 67895926
1-[4-(4-ethylcyclohexyl)cyclohexyl]-2,3-difluoro-4-hexoxybenzene
CID 134358390
1-ethoxy-4-[4-(4-ethylcyclohexyl)-2,3-difluorophenyl]-2,3-difluorobenzene
CID 134358646
1-but-1-enoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 123220405
1-ethoxy-2-ethyl-3-fluoro-4-(4-propylcyclohexyl)benzene
CID 118312086
2-[4-[4-(4-ethylcyclohexyl)cyclohexyl]-2,3-difluorophenoxy]ethane-1,1-diol
CID 178066806
1-(4-butylcyclohexyl)-4-ethoxy-2,3-difluorobenzene
CID 53418384
2,3-difluoro-1-propyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-[4-(4-ethylcyclohexyl)cyclohexyl]-2,3-difluoro-4-propylbenzene
CID 157321336
2,3-difluoro-1-octoxy-4-(4-octylcyclohexyl)benzene
CID 19103732
2,3-difluoro-1-[(Z)-prop-1-enoxy]-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 134358464

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylcyclohexyl)-2,3-difluoro-4-(3-propylcyclopentyl)oxybenzene?
The IUPAC name of 1-(4-ethylcyclohexyl)-2,3-difluoro-4-(3-propylcyclopentyl)oxybenzene (CID 174722829) is 1-(4-ethylcyclohexyl)-2,3-difluoro-4-(3-propylcyclopentyl)oxybenzene.
What is the SMILES notation for 1-(4-ethylcyclohexyl)-2,3-difluoro-4-(3-propylcyclopentyl)oxybenzene?
The canonical SMILES for 1-(4-ethylcyclohexyl)-2,3-difluoro-4-(3-propylcyclopentyl)oxybenzene is CCCC1CCC(Oc2ccc(C3CCC(CC)CC3)c(F)c2F)C1.
What is the InChIKey of 1-(4-ethylcyclohexyl)-2,3-difluoro-4-(3-propylcyclopentyl)oxybenzene?
The InChIKey is AIKGEMHRDBLZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32F2O/c1-3-5-16-8-11-18(14-16)25-20-13-12-19(21(23)22(20)24)17-9-6-15(4-2)7-10-17/h12-13,15-18H,3-11,14H2,1-2H3.
What are the key properties of 1-(4-ethylcyclohexyl)-2,3-difluoro-4-(3-propylcyclopentyl)oxybenzene?
1-(4-ethylcyclohexyl)-2,3-difluoro-4-(3-propylcyclopentyl)oxybenzene has a molecular weight of 350.49 g/mol, XLogP of 7.00, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylcyclohexyl)-2,3-difluoro-4-(3-propylcyclopentyl)oxybenzene is sourced from PubChem (CID 174722829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).