3-[4-[4-[difluoro-(4-methylphenyl)methoxy]phenyl]cyclohexyl]propanal

C23H26F2O2 — CID 162547849

IUPAC3-[4-[4-[difluoro-(4-methylphenyl)methoxy]phenyl]cyclohexyl]propanal
SMILESCc1ccc(C(F)(F)Oc2ccc(C3CCC(CCC=O)CC3)cc2)cc1
InChIInChI=1S/C23H26F2O2/c1-17-4-12-21(13-5-17)23(24,25)27-22-14-10-20(11-15-22)19-8-6-18(7-9-19)3-2-16-26/h4-5,10-16,18-19H,2-3,6-9H2,1H3
InChIKeyMCWYGUFBUJAULQ-UHFFFAOYSA-N
MW372.46 g/mol
LogP6.38
Rot. Bonds7

About 3-[4-[4-[difluoro-(4-methylphenyl)methoxy]phenyl]cyclohexyl]propanal

3-[4-[4-[difluoro-(4-methylphenyl)methoxy]phenyl]cyclohexyl]propanal (PubChem CID 162547849) has the molecular formula C23H26F2O2 and a molecular weight of 372.46 g/mol. Its IUPAC name is 3-[4-[4-[difluoro-(4-methylphenyl)methoxy]phenyl]cyclohexyl]propanal.

Molecular Properties

Compound Name3-[4-[4-[difluoro-(4-methylphenyl)methoxy]phenyl]cyclohexyl]propanal
PubChem CID162547849
Molecular FormulaC23H26F2O2
Molecular Weight372.46 g/mol
Exact Mass372.19
IUPAC Name3-[4-[4-[difluoro-(4-methylphenyl)methoxy]phenyl]cyclohexyl]propanal
SMILESCc1ccc(C(F)(F)Oc2ccc(C3CCC(CCC=O)CC3)cc2)cc1
InChIInChI=1S/C23H26F2O2/c1-17-4-12-21(13-5-17)23(24,25)27-22-14-10-20(11-15-22)19-8-6-18(7-9-19)3-2-16-26/h4-5,10-16,18-19H,2-3,6-9H2,1H3
InChIKeyMCWYGUFBUJAULQ-UHFFFAOYSA-N
XLogP6.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.46
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[difluoro-(4-fluorophenoxy)methyl]-4-(4-propylcyclohexyl)benzene
CID 19064157
1-[difluoro-[4-(4-propylcyclohexyl)phenyl]methoxy]-4-ethoxybenzene
CID 153454405
4-[[4-(4-ethylcyclohexyl)phenyl]-difluoromethoxy]benzonitrile
CID 67595253
5-[difluoro-[4-(4-propylcyclohexyl)phenyl]methoxy]-1,2,3-trifluorobenzene
CID 70176343
1-(difluoromethoxy)-4-[[4-[4-(4-ethylcyclohexyl)cyclohexyl]phenyl]-difluoromethoxy]benzene
CID 70178197
4-[[4-(4-but-2-enylcyclohexyl)phenyl]-difluoromethoxy]benzonitrile
CID 70177123
4-[4-[difluoro-(4-methylphenyl)methoxy]phenyl]-1-ethyl-2,2,6,6-tetramethylpiperidine
CID 134486558
4-[4-[difluoro-[4-[4-[(2S)-pentan-2-yl]cyclohexyl]phenyl]methoxy]phenyl]cyclohexane-1-carbaldehyde
CID 162547851
4-[difluoro-[4-(4-pentylcyclohexyl)phenyl]methoxy]-2,6-dimethylphenol
CID 121323745
5-[difluoro-[4-(4-pent-4-enylcyclohexyl)phenyl]methoxy]-1,2,3-trifluorobenzene
CID 70177526
5-[[4-[4-(4-ethylcyclohexyl)phenyl]phenyl]-difluoromethoxy]-1,2,3-trifluorobenzene
CID 118136060
4-[difluoro-[4-(4-pentylcyclohexyl)phenyl]methoxy]-2-ethyl-6-methylphenol
CID 121323756

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-[difluoro-(4-methylphenyl)methoxy]phenyl]cyclohexyl]propanal?
The IUPAC name of 3-[4-[4-[difluoro-(4-methylphenyl)methoxy]phenyl]cyclohexyl]propanal (CID 162547849) is 3-[4-[4-[difluoro-(4-methylphenyl)methoxy]phenyl]cyclohexyl]propanal.
What is the SMILES notation for 3-[4-[4-[difluoro-(4-methylphenyl)methoxy]phenyl]cyclohexyl]propanal?
The canonical SMILES for 3-[4-[4-[difluoro-(4-methylphenyl)methoxy]phenyl]cyclohexyl]propanal is Cc1ccc(C(F)(F)Oc2ccc(C3CCC(CCC=O)CC3)cc2)cc1.
What is the InChIKey of 3-[4-[4-[difluoro-(4-methylphenyl)methoxy]phenyl]cyclohexyl]propanal?
The InChIKey is MCWYGUFBUJAULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2O2/c1-17-4-12-21(13-5-17)23(24,25)27-22-14-10-20(11-15-22)19-8-6-18(7-9-19)3-2-16-26/h4-5,10-16,18-19H,2-3,6-9H2,1H3.
What are the key properties of 3-[4-[4-[difluoro-(4-methylphenyl)methoxy]phenyl]cyclohexyl]propanal?
3-[4-[4-[difluoro-(4-methylphenyl)methoxy]phenyl]cyclohexyl]propanal has a molecular weight of 372.46 g/mol, XLogP of 6.38, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-[difluoro-(4-methylphenyl)methoxy]phenyl]cyclohexyl]propanal is sourced from PubChem (CID 162547849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).