1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-propoxybenzene

C24H36F2O2 — CID 19792980

IUPAC1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-propoxybenzene
SMILESCCCOc1ccc(OCC2CCC(C3CCC(CC)CC3)CC2)c(F)c1F
InChIInChI=1S/C24H36F2O2/c1-3-15-27-21-13-14-22(24(26)23(21)25)28-16-18-7-11-20(12-8-18)19-9-5-17(4-2)6-10-19/h13-14,17-20H,3-12,15-16H2,1-2H3
InChIKeyBHHXAEAEGIUKHF-UHFFFAOYSA-N
MW394.55 g/mol
LogP7.16
Rot. Bonds8

About 1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-propoxybenzene

1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-propoxybenzene (PubChem CID 19792980) has the molecular formula C24H36F2O2 and a molecular weight of 394.55 g/mol. Its IUPAC name is 1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-propoxybenzene.

Molecular Properties

Compound Name1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-propoxybenzene
PubChem CID19792980
Molecular FormulaC24H36F2O2
Molecular Weight394.55 g/mol
Exact Mass394.27
IUPAC Name1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-propoxybenzene
SMILESCCCOc1ccc(OCC2CCC(C3CCC(CC)CC3)CC2)c(F)c1F
InChIInChI=1S/C24H36F2O2/c1-3-15-27-21-13-14-22(24(26)23(21)25)28-16-18-7-11-20(12-8-18)19-9-5-17(4-2)6-10-19/h13-14,17-20H,3-12,15-16H2,1-2H3
InChIKeyBHHXAEAEGIUKHF-UHFFFAOYSA-N
XLogP7.16
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 ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-butoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene;1-ethoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene;1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-methoxybenzene
CID 145231747
1-butoxy-4-[(4-butylcyclohexyl)methoxy]-2,3-difluorobenzene;1-butoxy-2,3-difluoro-4-[(4-pentylcyclohexyl)methoxy]benzene;1-butoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene;1-[(4-butylcyclohexyl)methoxy]-2,3-difluoro-4-pentoxybenzene;1-[(4-butylcyclohexyl)methoxy]-2,3-difluoro-4-propoxybenzene;2,3-difluoro-1-[(4-pentylcyclohexyl)methoxy]-4-propoxybenzene;1-ethoxy-2,3-difluoro-4-[(4-pentylcyclohexyl)methoxy]benzene;1-ethoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene;1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-pentoxybenzene;1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-propoxybenzene;molecular hydrogen
CID 158630984
1-(cyclopropylmethoxy)-2,3-difluoro-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]benzene
CID 162428612
1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-[(E)-prop-1-enoxy]benzene
CID 90161576
2-(2,3-difluoro-4-propoxyphenyl)-6-(4-ethylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139837053
2,3-difluoro-1-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-4-[(4-methylcyclohexyl)methoxy]benzene;molecular hydrogen
CID 160962445
2-[4-[(4-butoxy-2,3-difluorophenoxy)methyl]cyclohexyl]-6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 67967423
1-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-4-[(4-ethylcyclohexyl)methoxy]-2,3-difluorobenzene
CID 67896160
2-[4-[[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenoxy]methyl]cyclohexyl]-6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 67967587
1-butoxy-2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]benzene;1-butoxy-4-[(4-ethylcyclohexyl)methoxy]-2,3-difluorobenzene;2,3-difluoro-1-methoxy-4-[(4-propylcyclohexyl)methoxy]benzene;2,3-difluoro-1-pentoxy-4-[(4-propylcyclohexyl)methoxy]benzene;2,3-difluoro-1-propoxy-4-[(4-propylcyclohexyl)methoxy]benzene;1-ethoxy-2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]benzene;1-ethoxy-4-[(4-ethylcyclohexyl)methoxy]-2,3-difluorobenzene;1-[(4-ethylcyclohexyl)methoxy]-2,3-difluoro-4-pentoxybenzene;1-[(4-ethylcyclohexyl)methoxy]-2,3-difluoro-4-propoxybenzene;molecular hydrogen
CID 159620361
2-[4-[(4-ethoxy-2,3-difluorophenoxy)methyl]cyclohexyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 67954958
1-[(4-ethylcyclohexyl)methoxy]-2,3-difluoro-4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]benzene
CID 67895712

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-propoxybenzene?
The IUPAC name of 1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-propoxybenzene (CID 19792980) is 1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-propoxybenzene.
What is the SMILES notation for 1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-propoxybenzene?
The canonical SMILES for 1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-propoxybenzene is CCCOc1ccc(OCC2CCC(C3CCC(CC)CC3)CC2)c(F)c1F.
What is the InChIKey of 1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-propoxybenzene?
The InChIKey is BHHXAEAEGIUKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36F2O2/c1-3-15-27-21-13-14-22(24(26)23(21)25)28-16-18-7-11-20(12-8-18)19-9-5-17(4-2)6-10-19/h13-14,17-20H,3-12,15-16H2,1-2H3.
What are the key properties of 1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-propoxybenzene?
1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-propoxybenzene has a molecular weight of 394.55 g/mol, XLogP of 7.16, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-propoxybenzene is sourced from PubChem (CID 19792980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).