1-ethoxy-2,3-difluoro-4-[[4-(1-pentan-2-ylcyclohexyl)cyclohexyl]methoxy]benzene

C26H40F2O2 — CID 70397972

IUPAC1-ethoxy-2,3-difluoro-4-[[4-(1-pentan-2-ylcyclohexyl)cyclohexyl]methoxy]benzene
SMILESCCCC(C)C1(C2CCC(COc3ccc(OCC)c(F)c3F)CC2)CCCCC1
InChIInChI=1S/C26H40F2O2/c1-4-9-19(3)26(16-7-6-8-17-26)21-12-10-20(11-13-21)18-30-23-15-14-22(29-5-2)24(27)25(23)28/h14-15,19-21H,4-13,16-18H2,1-3H3
InChIKeyCNDGBVNSJGFVIG-UHFFFAOYSA-N
MW422.60 g/mol
LogP7.94
Rot. Bonds9

About 1-ethoxy-2,3-difluoro-4-[[4-(1-pentan-2-ylcyclohexyl)cyclohexyl]methoxy]benzene

1-ethoxy-2,3-difluoro-4-[[4-(1-pentan-2-ylcyclohexyl)cyclohexyl]methoxy]benzene (PubChem CID 70397972) has the molecular formula C26H40F2O2 and a molecular weight of 422.60 g/mol. Its IUPAC name is 1-ethoxy-2,3-difluoro-4-[[4-(1-pentan-2-ylcyclohexyl)cyclohexyl]methoxy]benzene.

Molecular Properties

Compound Name1-ethoxy-2,3-difluoro-4-[[4-(1-pentan-2-ylcyclohexyl)cyclohexyl]methoxy]benzene
PubChem CID70397972
Molecular FormulaC26H40F2O2
Molecular Weight422.60 g/mol
Exact Mass422.30
IUPAC Name1-ethoxy-2,3-difluoro-4-[[4-(1-pentan-2-ylcyclohexyl)cyclohexyl]methoxy]benzene
SMILESCCCC(C)C1(C2CCC(COc3ccc(OCC)c(F)c3F)CC2)CCCCC1
InChIInChI=1S/C26H40F2O2/c1-4-9-19(3)26(16-7-6-8-17-26)21-12-10-20(11-13-21)18-30-23-15-14-22(29-5-2)24(27)25(23)28/h14-15,19-21H,4-13,16-18H2,1-3H3
InChIKeyCNDGBVNSJGFVIG-UHFFFAOYSA-N
XLogP7.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.60
LogP ≤ 57.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(difluoromethoxy)-4-[4-(1-pentan-2-ylcyclohexyl)cyclohexyl]benzene
CID 67785014
2-(cyclopentylmethoxy)-7-ethoxy-1,8-difluorophenanthrene
CID 177267198
1-(cyclopropylmethoxy)-2,3-difluoro-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]benzene
CID 162428612
1-ethoxy-2,3-difluoro-4-[[4-[4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]cyclohexyl]methoxy]benzene
CID 139334314
1-ethoxy-2,3-difluoro-4-[[4-(3-methoxyprop-1-enyl)cyclohexyl]methoxy]benzene
CID 67822338
1-(cyclobutylmethoxy)-4-cyclopropyloxy-2,3-difluorobenzene
CID 153282322
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
1-chloro-4-[1-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]silinane
CID 22878457
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-(4-iodoheptyl)cyclohexyl]methoxy]-4-methoxybenzene
CID 122536213
2,3-difluoro-1-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-4-[(4-methylcyclohexyl)methoxy]benzene;molecular hydrogen
CID 160962445

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2,3-difluoro-4-[[4-(1-pentan-2-ylcyclohexyl)cyclohexyl]methoxy]benzene?
The IUPAC name of 1-ethoxy-2,3-difluoro-4-[[4-(1-pentan-2-ylcyclohexyl)cyclohexyl]methoxy]benzene (CID 70397972) is 1-ethoxy-2,3-difluoro-4-[[4-(1-pentan-2-ylcyclohexyl)cyclohexyl]methoxy]benzene.
What is the SMILES notation for 1-ethoxy-2,3-difluoro-4-[[4-(1-pentan-2-ylcyclohexyl)cyclohexyl]methoxy]benzene?
The canonical SMILES for 1-ethoxy-2,3-difluoro-4-[[4-(1-pentan-2-ylcyclohexyl)cyclohexyl]methoxy]benzene is CCCC(C)C1(C2CCC(COc3ccc(OCC)c(F)c3F)CC2)CCCCC1.
What is the InChIKey of 1-ethoxy-2,3-difluoro-4-[[4-(1-pentan-2-ylcyclohexyl)cyclohexyl]methoxy]benzene?
The InChIKey is CNDGBVNSJGFVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40F2O2/c1-4-9-19(3)26(16-7-6-8-17-26)21-12-10-20(11-13-21)18-30-23-15-14-22(29-5-2)24(27)25(23)28/h14-15,19-21H,4-13,16-18H2,1-3H3.
What are the key properties of 1-ethoxy-2,3-difluoro-4-[[4-(1-pentan-2-ylcyclohexyl)cyclohexyl]methoxy]benzene?
1-ethoxy-2,3-difluoro-4-[[4-(1-pentan-2-ylcyclohexyl)cyclohexyl]methoxy]benzene has a molecular weight of 422.60 g/mol, XLogP of 7.94, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2,3-difluoro-4-[[4-(1-pentan-2-ylcyclohexyl)cyclohexyl]methoxy]benzene is sourced from PubChem (CID 70397972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).