4-[[4-[4-[(4-cyclohexylphenyl)methoxy]phenyl]-2,3-dihydro-1,3-thiazol-2-yl]methyl]benzaldehyde

C30H31NO2S — CID 142249286

IUPAC4-[[4-[4-[(4-cyclohexylphenyl)methoxy]phenyl]-2,3-dihydro-1,3-thiazol-2-yl]methyl]benzaldehyde
SMILESO=Cc1ccc(CC2NC(c3ccc(OCc4ccc(C5CCCCC5)cc4)cc3)=CS2)cc1
InChIInChI=1S/C30H31NO2S/c32-19-23-8-6-22(7-9-23)18-30-31-29(21-34-30)27-14-16-28(17-15-27)33-20-24-10-12-26(13-11-24)25-4-2-1-3-5-25/h6-17,19,21,25,30-31H,1-5,18,20H2
InChIKeyAJFAXNTZZODNRS-UHFFFAOYSA-N
MW469.65 g/mol
LogP7.33
Rot. Bonds8

About 4-[[4-[4-[(4-cyclohexylphenyl)methoxy]phenyl]-2,3-dihydro-1,3-thiazol-2-yl]methyl]benzaldehyde

4-[[4-[4-[(4-cyclohexylphenyl)methoxy]phenyl]-2,3-dihydro-1,3-thiazol-2-yl]methyl]benzaldehyde (PubChem CID 142249286) has the molecular formula C30H31NO2S and a molecular weight of 469.65 g/mol. Its IUPAC name is 4-[[4-[4-[(4-cyclohexylphenyl)methoxy]phenyl]-2,3-dihydro-1,3-thiazol-2-yl]methyl]benzaldehyde.

Molecular Properties

Compound Name4-[[4-[4-[(4-cyclohexylphenyl)methoxy]phenyl]-2,3-dihydro-1,3-thiazol-2-yl]methyl]benzaldehyde
PubChem CID142249286
Molecular FormulaC30H31NO2S
Molecular Weight469.65 g/mol
Exact Mass469.21
IUPAC Name4-[[4-[4-[(4-cyclohexylphenyl)methoxy]phenyl]-2,3-dihydro-1,3-thiazol-2-yl]methyl]benzaldehyde
SMILESO=Cc1ccc(CC2NC(c3ccc(OCc4ccc(C5CCCCC5)cc4)cc3)=CS2)cc1
InChIInChI=1S/C30H31NO2S/c32-19-23-8-6-22(7-9-23)18-30-31-29(21-34-30)27-14-16-28(17-15-27)33-20-24-10-12-26(13-11-24)25-4-2-1-3-5-25/h6-17,19,21,25,30-31H,1-5,18,20H2
InChIKeyAJFAXNTZZODNRS-UHFFFAOYSA-N
XLogP7.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.65
LogP ≤ 57.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[[4-[4-[(4-cyclohexylphenyl)methoxy]phenyl]-2,3-dihydro-1,3-thiazol-2-yl]methyl]benzaldehyde with MolForge

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Related Compounds

4-[(4-cyclohexyloxyphenyl)methoxy]benzaldehyde
CID 87615692
4-[(4-cyclopentyloxyphenyl)methoxy]benzaldehyde
CID 87614482
4-cyclooctylbenzaldehyde
CID 12923818
4-cycloheptylbenzaldehyde
CID 21484445
2-bromo-1-[4-[(4-cyclohexylphenyl)methoxy]phenyl]ethanone
CID 58782300
methyl 4-[(4-cyclohexylphenoxy)methyl]benzoate
CID 925837
4-[(4-iodophenyl)methoxy]benzaldehyde
CID 882484
N-[(4-cyclohexylphenyl)methyl]-4-phenylmethoxyaniline
CID 90023157
4-[2-(4-butylphenyl)ethynyl]benzaldehyde;4-[2-(4-cyclohexylphenyl)ethynyl]benzaldehyde;4-[2-(4-methylphenyl)ethynyl]benzaldehyde;4-[2-(4-propoxyphenyl)ethynyl]benzaldehyde;4-[2-(4-propylphenyl)ethynyl]benzaldehyde
CID 162108747
acetaldehyde;4-[(4-fluorophenyl)methoxy]benzaldehyde
CID 175354116
4-(4-cyclohexylphenyl)-3-fluorobenzaldehyde
CID 81431702
4-[(4-nitrosophenyl)methoxy]benzaldehyde
CID 88889564

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[4-[(4-cyclohexylphenyl)methoxy]phenyl]-2,3-dihydro-1,3-thiazol-2-yl]methyl]benzaldehyde?
The IUPAC name of 4-[[4-[4-[(4-cyclohexylphenyl)methoxy]phenyl]-2,3-dihydro-1,3-thiazol-2-yl]methyl]benzaldehyde (CID 142249286) is 4-[[4-[4-[(4-cyclohexylphenyl)methoxy]phenyl]-2,3-dihydro-1,3-thiazol-2-yl]methyl]benzaldehyde.
What is the SMILES notation for 4-[[4-[4-[(4-cyclohexylphenyl)methoxy]phenyl]-2,3-dihydro-1,3-thiazol-2-yl]methyl]benzaldehyde?
The canonical SMILES for 4-[[4-[4-[(4-cyclohexylphenyl)methoxy]phenyl]-2,3-dihydro-1,3-thiazol-2-yl]methyl]benzaldehyde is O=Cc1ccc(CC2NC(c3ccc(OCc4ccc(C5CCCCC5)cc4)cc3)=CS2)cc1.
What is the InChIKey of 4-[[4-[4-[(4-cyclohexylphenyl)methoxy]phenyl]-2,3-dihydro-1,3-thiazol-2-yl]methyl]benzaldehyde?
The InChIKey is AJFAXNTZZODNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31NO2S/c32-19-23-8-6-22(7-9-23)18-30-31-29(21-34-30)27-14-16-28(17-15-27)33-20-24-10-12-26(13-11-24)25-4-2-1-3-5-25/h6-17,19,21,25,30-31H,1-5,18,20H2.
What are the key properties of 4-[[4-[4-[(4-cyclohexylphenyl)methoxy]phenyl]-2,3-dihydro-1,3-thiazol-2-yl]methyl]benzaldehyde?
4-[[4-[4-[(4-cyclohexylphenyl)methoxy]phenyl]-2,3-dihydro-1,3-thiazol-2-yl]methyl]benzaldehyde has a molecular weight of 469.65 g/mol, XLogP of 7.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[4-[(4-cyclohexylphenyl)methoxy]phenyl]-2,3-dihydro-1,3-thiazol-2-yl]methyl]benzaldehyde is sourced from PubChem (CID 142249286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).