4-[[2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]phenoxy]methyl]cyclohexane-1-carbaldehyde

C24H34F2O3 — CID 102522412

IUPAC4-[[2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]phenoxy]methyl]cyclohexane-1-carbaldehyde
SMILESCCCC1CCC(COc2ccc(OCC3CCC(C=O)CC3)c(F)c2F)CC1
InChIInChI=1S/C24H34F2O3/c1-2-3-17-4-8-19(9-5-17)15-28-21-12-13-22(24(26)23(21)25)29-16-20-10-6-18(14-27)7-11-20/h12-14,17-20H,2-11,15-16H2,1H3
InChIKeyMUKHPBQUKSMFKJ-UHFFFAOYSA-N
MW408.53 g/mol
LogP6.33
Rot. Bonds9

About 4-[[2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]phenoxy]methyl]cyclohexane-1-carbaldehyde

4-[[2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]phenoxy]methyl]cyclohexane-1-carbaldehyde (PubChem CID 102522412) has the molecular formula C24H34F2O3 and a molecular weight of 408.53 g/mol. Its IUPAC name is 4-[[2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]phenoxy]methyl]cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name4-[[2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]phenoxy]methyl]cyclohexane-1-carbaldehyde
PubChem CID102522412
Molecular FormulaC24H34F2O3
Molecular Weight408.53 g/mol
Exact Mass408.25
IUPAC Name4-[[2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]phenoxy]methyl]cyclohexane-1-carbaldehyde
SMILESCCCC1CCC(COc2ccc(OCC3CCC(C=O)CC3)c(F)c2F)CC1
InChIInChI=1S/C24H34F2O3/c1-2-3-17-4-8-19(9-5-17)15-28-21-12-13-22(24(26)23(21)25)29-16-20-10-6-18(14-27)7-11-20/h12-14,17-20H,2-11,15-16H2,1H3
InChIKeyMUKHPBQUKSMFKJ-UHFFFAOYSA-N
XLogP6.33
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.53
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-ethoxy-2,3-difluoro-4-[[4-[4-(4-propylcyclohexyl)phenyl]cyclohexyl]methoxy]benzene
CID 154607154
2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]benzonitrile
CID 23052003
2-[(4-ethoxy-2,3-difluorophenoxy)methyl]-6-[(E)-2-(4-propylcyclohexyl)ethenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 67967247
2,3-difluoro-1,4-bis[(3-propylcyclobutyl)methoxy]benzene
CID 153282428
4-[[4-(4-ethoxy-2-fluorophenyl)-2,3-difluorophenoxy]methyl]cyclohexane-1-carbaldehyde
CID 130282022
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-[4-[(4-butoxy-2,3-difluorophenoxy)methyl]cyclohexyl]-6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 67967423
3-(cyclohexylmethoxy)-1,2,8-trifluoro-7-[(4-propylcyclohexyl)methoxy]biphenylene
CID 134473076
1-[(4-but-3-enylcyclohexyl)methoxy]-4-ethoxy-2,3-difluorobenzene
CID 59203793
1-ethoxy-2,3-difluoro-4-[[4-(3-methoxyprop-1-enyl)cyclohexyl]methoxy]benzene
CID 67822338
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-[1-fluoro-2-(4-propylcyclohexyl)ethenyl]benzene
CID 67992192

Frequently Asked Questions

What is the IUPAC name of 4-[[2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]phenoxy]methyl]cyclohexane-1-carbaldehyde?
The IUPAC name of 4-[[2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]phenoxy]methyl]cyclohexane-1-carbaldehyde (CID 102522412) is 4-[[2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]phenoxy]methyl]cyclohexane-1-carbaldehyde.
What is the SMILES notation for 4-[[2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]phenoxy]methyl]cyclohexane-1-carbaldehyde?
The canonical SMILES for 4-[[2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]phenoxy]methyl]cyclohexane-1-carbaldehyde is CCCC1CCC(COc2ccc(OCC3CCC(C=O)CC3)c(F)c2F)CC1.
What is the InChIKey of 4-[[2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]phenoxy]methyl]cyclohexane-1-carbaldehyde?
The InChIKey is MUKHPBQUKSMFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34F2O3/c1-2-3-17-4-8-19(9-5-17)15-28-21-12-13-22(24(26)23(21)25)29-16-20-10-6-18(14-27)7-11-20/h12-14,17-20H,2-11,15-16H2,1H3.
What are the key properties of 4-[[2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]phenoxy]methyl]cyclohexane-1-carbaldehyde?
4-[[2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]phenoxy]methyl]cyclohexane-1-carbaldehyde has a molecular weight of 408.53 g/mol, XLogP of 6.33, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]phenoxy]methyl]cyclohexane-1-carbaldehyde is sourced from PubChem (CID 102522412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).