1-methyl-4-(4-octoxyphenyl)benzene;4-[5-(4-pentoxyphenyl)furan-2-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,3-oxazol-2-yl]benzaldehyde;4-[4-(4-pentoxyphenyl)phenyl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,3,4-thiadiazol-2-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)thiophen-2-yl]benzaldehyde

C151H158N4O16S2 — CID 158127365

IUPAC1-methyl-4-(4-octoxyphenyl)benzene;4-[5-(4-pentoxyphenyl)furan-2-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,3-oxazol-2-yl]benzaldehyde;4-[4-(4-pentoxyphenyl)phenyl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,3,4-thiadiazol-2-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)thiophen-2-yl]benzaldehyde
SMILESCCCCCCCCOc1ccc(-c2ccc(C)cc2)cc1.CCCCCOc1ccc(-c2cc(-c3ccc(C=O)cc3)no2)cc1.CCCCCOc1ccc(-c2ccc(-c3ccc(C=O)cc3)cc2)cc1.CCCCCOc1ccc(-c2ccc(-c3ccc(C=O)cc3)o2)cc1.CCCCCOc1ccc(-c2ccc(-c3ccc(C=O)cc3)s2)cc1.CCCCCOc1ccc(-c2cnc(-c3ccc(C=O)cc3)o2)cc1.CCCCCOc1ccc(-c2nnc(-c3ccc(C=O)cc3)s2)cc1
InChIInChI=1S/C24H24O2.C22H22O3.C22H22O2S.2C21H21NO3.C21H28O.C20H20N2O2S/c1-2-3-4-17-26-24-15-13-23(14-16-24)22-11-9-21(10-12-22)20-7-5-19(18-25)6-8-20;2*1-2-3-4-15-24-20-11-9-19(10-12-20)22-14-13-21(25-22)18-7-5-17(16-23)6-8-18;1-2-3-4-13-24-19-11-9-17(10-12-19)20-14-22-21(25-20)18-7-5-16(15-23)6-8-18;1-2-3-4-13-24-19-11-9-18(10-12-19)21-14-20(22-25-21)17-7-5-16(15-23)6-8-17;1-3-4-5-6-7-8-17-22-21-15-13-20(14-16-21)19-11-9-18(2)10-12-19;1-2-3-4-13-24-18-11-9-17(10-12-18)20-22-21-19(25-20)16-7-5-15(14-23)6-8-16/h5-16,18H,2-4,17H2,1H3;2*5-14,16H,2-4,15H2,1H3;2*5-12,14-15H,2-4,13H2,1H3;9-16H,3-8,17H2,1-2H3;5-12,14H,2-4,13H2,1H3
InChIKeyFSIRUDGCFYRNJO-UHFFFAOYSA-N
MW2349.07 g/mol
LogP41.30
Rot. Bonds57

About 1-methyl-4-(4-octoxyphenyl)benzene;4-[5-(4-pentoxyphenyl)furan-2-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,3-oxazol-2-yl]benzaldehyde;4-[4-(4-pentoxyphenyl)phenyl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,3,4-thiadiazol-2-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)thiophen-2-yl]benzaldehyde

1-methyl-4-(4-octoxyphenyl)benzene;4-[5-(4-pentoxyphenyl)furan-2-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,3-oxazol-2-yl]benzaldehyde;4-[4-(4-pentoxyphenyl)phenyl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,3,4-thiadiazol-2-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)thiophen-2-yl]benzaldehyde (PubChem CID 158127365) has the molecular formula C151H158N4O16S2 and a molecular weight of 2349.07 g/mol. Its IUPAC name is 1-methyl-4-(4-octoxyphenyl)benzene;4-[5-(4-pentoxyphenyl)furan-2-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,3-oxazol-2-yl]benzaldehyde;4-[4-(4-pentoxyphenyl)phenyl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,3,4-thiadiazol-2-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)thiophen-2-yl]benzaldehyde.

Molecular Properties

Compound Name1-methyl-4-(4-octoxyphenyl)benzene;4-[5-(4-pentoxyphenyl)furan-2-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,3-oxazol-2-yl]benzaldehyde;4-[4-(4-pentoxyphenyl)phenyl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,3,4-thiadiazol-2-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)thiophen-2-yl]benzaldehyde
PubChem CID158127365
Molecular FormulaC151H158N4O16S2
Molecular Weight2349.07 g/mol
Exact Mass2347.11
IUPAC Name1-methyl-4-(4-octoxyphenyl)benzene;4-[5-(4-pentoxyphenyl)furan-2-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,3-oxazol-2-yl]benzaldehyde;4-[4-(4-pentoxyphenyl)phenyl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,3,4-thiadiazol-2-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)thiophen-2-yl]benzaldehyde
SMILESCCCCCCCCOc1ccc(-c2ccc(C)cc2)cc1.CCCCCOc1ccc(-c2cc(-c3ccc(C=O)cc3)no2)cc1.CCCCCOc1ccc(-c2ccc(-c3ccc(C=O)cc3)cc2)cc1.CCCCCOc1ccc(-c2ccc(-c3ccc(C=O)cc3)o2)cc1.CCCCCOc1ccc(-c2ccc(-c3ccc(C=O)cc3)s2)cc1.CCCCCOc1ccc(-c2cnc(-c3ccc(C=O)cc3)o2)cc1.CCCCCOc1ccc(-c2nnc(-c3ccc(C=O)cc3)s2)cc1
InChIInChI=1S/C24H24O2.C22H22O3.C22H22O2S.2C21H21NO3.C21H28O.C20H20N2O2S/c1-2-3-4-17-26-24-15-13-23(14-16-24)22-11-9-21(10-12-22)20-7-5-19(18-25)6-8-20;2*1-2-3-4-15-24-20-11-9-19(10-12-20)22-14-13-21(25-22)18-7-5-17(16-23)6-8-18;1-2-3-4-13-24-19-11-9-17(10-12-19)20-14-22-21(25-20)18-7-5-16(15-23)6-8-18;1-2-3-4-13-24-19-11-9-18(10-12-19)21-14-20(22-25-21)17-7-5-16(15-23)6-8-17;1-3-4-5-6-7-8-17-22-21-15-13-20(14-16-21)19-11-9-18(2)10-12-19;1-2-3-4-13-24-18-11-9-17(10-12-18)20-22-21-19(25-20)16-7-5-15(14-23)6-8-16/h5-16,18H,2-4,17H2,1H3;2*5-14,16H,2-4,15H2,1H3;2*5-12,14-15H,2-4,13H2,1H3;9-16H,3-8,17H2,1-2H3;5-12,14H,2-4,13H2,1H3
InChIKeyFSIRUDGCFYRNJO-UHFFFAOYSA-N
XLogP41.30
TPSA258.01 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds57
Heavy Atoms173
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002349.07
LogP ≤ 541.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze 1-methyl-4-(4-octoxyphenyl)benzene;4-[5-(4-pentoxyphenyl)furan-2-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,3-oxazol-2-yl]benzaldehyde;4-[4-(4-pentoxyphenyl)phenyl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,3,4-thiadiazol-2-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)thiophen-2-yl]benzaldehyde with MolForge

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Related Compounds

5-(4-heptoxyphenyl)-3-(4-prop-1-en-2-ylphenyl)-1,2-oxazole;1-heptoxy-4-[4-(4-prop-1-en-2-ylphenyl)phenyl]benzene;3-(4-hexoxyphenyl)-5-(4-prop-1-en-2-ylphenyl)-1,2,4-oxadiazole;2-(4-hexoxyphenyl)-4-(4-prop-1-en-2-ylphenyl)-1,3-oxazole;4-(4-hexoxyphenyl)-2-(4-prop-1-en-2-ylphenyl)-1,3-oxazole;5-(4-hexoxyphenyl)-2-(4-prop-1-en-2-ylphenyl)-1,3-oxazole;5-(4-hexoxyphenyl)-3-(4-prop-1-en-2-ylphenyl)-1,2-oxazole;3-(4-hexoxyphenyl)-5-(4-prop-1-en-2-ylphenyl)-1H-pyrazole;2-(4-hexoxyphenyl)-5-(4-prop-1-en-2-ylphenyl)pyridine;5-(4-hexoxyphenyl)-2-(4-prop-1-en-2-ylphenyl)pyridine;5-(4-hexoxyphenyl)-2-(4-prop-1-en-2-ylphenyl)-1,3-thiazole;2-(4-hexoxyphenyl)-5-(4-prop-1-en-2-ylphenyl)thiophene;1-hexoxy-4-[4-(4-prop-1-en-2-ylphenyl)phenyl]benzene;5-(4-pentoxyphenyl)-2-(4-prop-1-en-2-ylphenyl)-1,3-oxazole;1-pentoxy-4-[4-(4-prop-1-en-2-ylphenyl)phenyl]benzene
CID 157185213
3-Cyclopropyl-5-propan-2-yl-1,2-oxazole;3-ethyl-5-propan-2-yl-1,2-oxazole;ethyl 5-propan-2-yl-1,2-oxazole-3-carboxylate;3-(1-fluoroethyl)-5-propan-2-yl-1,2-oxazole;4-methyl-3-phenyl-5-propan-2-yl-1,2-oxazole;2-(4-methylphenyl)-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-2-propan-2-ylfuran;3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;2-phenyl-4-propan-2-yl-1,3-oxazole;3-phenyl-5-propan-2-yl-1,2-oxazole;2-phenyl-5-propan-2-yl-1,3,4-thiadiazole;bis(1-(5-propan-2-yl-1,2-oxazol-3-yl)ethanone);5-propan-2-yl-3-pyridin-2-yl-1,2-oxazole;2-propan-2-yl-5-pyridin-2-yl-1,3,4-thiadiazole
CID 157207924
methane;1-methyl-4-(4-octoxyphenyl)benzene;6-octoxy-2,3-dihydro-1H-indole-2-carbaldehyde;4-[5-(4-pentoxyphenyl)furan-2-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,3-oxazol-2-yl]benzaldehyde;4-[4-(4-pentoxyphenyl)phenyl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,3,4-thiadiazol-2-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)thiophen-2-yl]benzaldehyde
CID 157319831
1,5-Diphenyl-4-(3-phenyl-2-benzothiophen-1-yl)triazole;2,4-diphenyl-5-(3-phenyl-2-benzothiophen-1-yl)triazole;3-phenyl-4-(3-phenyl-2-benzothiophen-1-yl)-1,2-oxazole;4-phenyl-3-(3-phenyl-2-benzothiophen-1-yl)-1,2-oxazole;4-phenyl-5-(3-phenyl-2-benzothiophen-1-yl)-1,2-oxazole;4-phenyl-5-(3-phenyl-2-benzothiophen-1-yl)-1,3-oxazole;5-phenyl-4-(3-phenyl-2-benzothiophen-1-yl)-1,2-oxazole
CID 157581194
2,2-Dimethylhexan-3-ylbenzene;1-(2,2-dimethylhexan-3-yl)cyclopenta-1,3-diene;2-(2,2-dimethylhexan-3-yl)cyclopenta-1,3-diene;2-(2,2-dimethylhexan-3-yl)furan;3-(2,2-dimethylhexan-3-yl)furan;3-(2,2-dimethylhexan-3-yl)-1,2-oxazole;4-(2,2-dimethylhexan-3-yl)-1,2-oxazole;4-(2,2-dimethylhexan-3-yl)-1,3-oxazole;5-(2,2-dimethylhexan-3-yl)-1,2-oxazole;2-(2,2-dimethylhexan-3-yl)pyridine;2-(2,2-dimethylhexan-3-yl)thiophene;3-(2,2-dimethylhexan-3-yl)thiophene
CID 157926806
1-Methyl-4-(4-octoxyphenyl)benzene;4-[5-(4-pentoxyphenyl)furan-2-yl]benzaldehyde;4-[2-(4-pentoxyphenyl)-1,3-oxazol-5-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,3,4-thiadiazol-2-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)thiophen-2-yl]benzaldehyde
CID 158060761
2-[3-[2-[3-[5-[3-(2-Aminoethyl)phenyl]-1,3-oxazol-2-yl]phenyl]-1,3-oxazol-5-yl]phenyl]ethanamine;2-[3-[3-[3-[5-[3-(2-aminoethyl)phenyl]-1,2-oxazol-3-yl]phenyl]-1,2-oxazol-5-yl]phenyl]ethanamine;2-[3-[2-[3-[5-[3-(2-aminoethyl)phenyl]-1,3-thiazol-2-yl]phenyl]-1,3-thiazol-5-yl]phenyl]ethanamine;2-[2-[3-[3-[3-[5-[3-[2-(diaminomethylideneamino)ethyl]phenyl]-1,2-oxazol-3-yl]phenyl]-1,2-oxazol-5-yl]phenyl]ethyl]guanidine;2-[2-[3-[2-[3-[5-[3-[2-(diaminomethylideneamino)ethyl]phenyl]-1,3-thiazol-2-yl]phenyl]-1,3-thiazol-5-yl]phenyl]ethyl]guanidine;2-[3-[2-[3-(1,3-oxazol-2-yl)phenyl]-1,3-oxazol-5-yl]phenyl]ethanamine
CID 158159936
5-(4-heptoxyphenyl)-3-(4-prop-1-en-2-ylphenyl)-1,2-oxazole;3-(4-hexoxyphenyl)-5-(4-prop-1-en-2-ylphenyl)-1,2,4-oxadiazole;2-(4-hexoxyphenyl)-4-(4-prop-1-en-2-ylphenyl)-1,3-oxazole;4-(4-hexoxyphenyl)-2-(4-prop-1-en-2-ylphenyl)-1,3-oxazole;5-(4-hexoxyphenyl)-2-(4-prop-1-en-2-ylphenyl)-1,3-oxazole;5-(4-hexoxyphenyl)-3-(4-prop-1-en-2-ylphenyl)-1,2-oxazole;3-(4-hexoxyphenyl)-5-(4-prop-1-en-2-ylphenyl)-1H-pyrazole;2-(4-hexoxyphenyl)-5-(4-prop-1-en-2-ylphenyl)pyridine;5-(4-hexoxyphenyl)-2-(4-prop-1-en-2-ylphenyl)pyridine;5-(4-hexoxyphenyl)-2-(4-prop-1-en-2-ylphenyl)-1,3-thiazole;2-(4-hexoxyphenyl)-5-(4-prop-1-en-2-ylphenyl)thiophene;5-(4-pentoxyphenyl)-2-(4-prop-1-en-2-ylphenyl)-1,3-oxazole
CID 158567642
1-methyl-4-(4-octoxyphenyl)benzene;5-octoxy-2,3-dihydro-1H-indene;4-[5-(4-pentoxyphenyl)furan-2-yl]benzaldehyde;4-[2-(4-pentoxyphenyl)-1,3-oxazol-5-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzaldehyde;4-[4-(4-pentoxyphenyl)phenyl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,3,4-thiadiazol-2-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)thiophen-2-yl]benzaldehyde
CID 158698161
4-[5-(4-Pentoxyphenyl)furan-2-yl]benzaldehyde;4-[2-(4-pentoxyphenyl)-1,3-oxazol-5-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,3,4-thiadiazol-2-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)thiophen-2-yl]benzaldehyde
CID 159695418
1-Methyl-4-(4-octoxyphenyl)benzene;4-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)furan-2-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzaldehyde;4-[4-(4-pentoxyphenyl)phenyl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,3,4-thiadiazol-2-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)thiophen-2-yl]benzaldehyde
CID 160190772
4-(1-Cyclopenta-1,3-dien-1-yl-2,2-dimethylpropyl)oxane;4-(1-cyclopenta-1,4-dien-1-yl-2,2-dimethylpropyl)oxane;3-[2,2-dimethyl-1-(oxan-4-yl)propyl]-1,2-oxazole;4-[2,2-dimethyl-1-(oxan-4-yl)propyl]-1,2-oxazole;4-[2,2-dimethyl-1-(oxan-4-yl)propyl]-1,3-oxazole;5-[2,2-dimethyl-1-(oxan-4-yl)propyl]-1,2-oxazole;2-[2,2-dimethyl-1-(oxan-4-yl)propyl]pyridine;4-(2,2-dimethyl-1-phenylpropyl)oxane;4-(2,2-dimethyl-1-thiophen-2-ylpropyl)oxane;4-(2,2-dimethyl-1-thiophen-3-ylpropyl)oxane;4-[1-(furan-2-yl)-2,2-dimethylpropyl]oxane;4-[1-(furan-3-yl)-2,2-dimethylpropyl]oxane
CID 161162589

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-octoxyphenyl)benzene;4-[5-(4-pentoxyphenyl)furan-2-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,3-oxazol-2-yl]benzaldehyde;4-[4-(4-pentoxyphenyl)phenyl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,3,4-thiadiazol-2-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)thiophen-2-yl]benzaldehyde?
The IUPAC name of 1-methyl-4-(4-octoxyphenyl)benzene;4-[5-(4-pentoxyphenyl)furan-2-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,3-oxazol-2-yl]benzaldehyde;4-[4-(4-pentoxyphenyl)phenyl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,3,4-thiadiazol-2-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)thiophen-2-yl]benzaldehyde (CID 158127365) is 1-methyl-4-(4-octoxyphenyl)benzene;4-[5-(4-pentoxyphenyl)furan-2-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,3-oxazol-2-yl]benzaldehyde;4-[4-(4-pentoxyphenyl)phenyl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,3,4-thiadiazol-2-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)thiophen-2-yl]benzaldehyde.
What is the SMILES notation for 1-methyl-4-(4-octoxyphenyl)benzene;4-[5-(4-pentoxyphenyl)furan-2-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,3-oxazol-2-yl]benzaldehyde;4-[4-(4-pentoxyphenyl)phenyl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,3,4-thiadiazol-2-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)thiophen-2-yl]benzaldehyde?
The canonical SMILES for 1-methyl-4-(4-octoxyphenyl)benzene;4-[5-(4-pentoxyphenyl)furan-2-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,3-oxazol-2-yl]benzaldehyde;4-[4-(4-pentoxyphenyl)phenyl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,3,4-thiadiazol-2-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)thiophen-2-yl]benzaldehyde is CCCCCCCCOc1ccc(-c2ccc(C)cc2)cc1.CCCCCOc1ccc(-c2cc(-c3ccc(C=O)cc3)no2)cc1.CCCCCOc1ccc(-c2ccc(-c3ccc(C=O)cc3)cc2)cc1.CCCCCOc1ccc(-c2ccc(-c3ccc(C=O)cc3)o2)cc1.CCCCCOc1ccc(-c2ccc(-c3ccc(C=O)cc3)s2)cc1.CCCCCOc1ccc(-c2cnc(-c3ccc(C=O)cc3)o2)cc1.CCCCCOc1ccc(-c2nnc(-c3ccc(C=O)cc3)s2)cc1.
What is the InChIKey of 1-methyl-4-(4-octoxyphenyl)benzene;4-[5-(4-pentoxyphenyl)furan-2-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,3-oxazol-2-yl]benzaldehyde;4-[4-(4-pentoxyphenyl)phenyl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,3,4-thiadiazol-2-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)thiophen-2-yl]benzaldehyde?
The InChIKey is FSIRUDGCFYRNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O2.C22H22O3.C22H22O2S.2C21H21NO3.C21H28O.C20H20N2O2S/c1-2-3-4-17-26-24-15-13-23(14-16-24)22-11-9-21(10-12-22)20-7-5-19(18-25)6-8-20;2*1-2-3-4-15-24-20-11-9-19(10-12-20)22-14-13-21(25-22)18-7-5-17(16-23)6-8-18;1-2-3-4-13-24-19-11-9-17(10-12-19)20-14-22-21(25-20)18-7-5-16(15-23)6-8-18;1-2-3-4-13-24-19-11-9-18(10-12-19)21-14-20(22-25-21)17-7-5-16(15-23)6-8-17;1-3-4-5-6-7-8-17-22-21-15-13-20(14-16-21)19-11-9-18(2)10-12-19;1-2-3-4-13-24-18-11-9-17(10-12-18)20-22-21-19(25-20)16-7-5-15(14-23)6-8-16/h5-16,18H,2-4,17H2,1H3;2*5-14,16H,2-4,15H2,1H3;2*5-12,14-15H,2-4,13H2,1H3;9-16H,3-8,17H2,1-2H3;5-12,14H,2-4,13H2,1H3.
What are the key properties of 1-methyl-4-(4-octoxyphenyl)benzene;4-[5-(4-pentoxyphenyl)furan-2-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,3-oxazol-2-yl]benzaldehyde;4-[4-(4-pentoxyphenyl)phenyl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,3,4-thiadiazol-2-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)thiophen-2-yl]benzaldehyde?
1-methyl-4-(4-octoxyphenyl)benzene;4-[5-(4-pentoxyphenyl)furan-2-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,3-oxazol-2-yl]benzaldehyde;4-[4-(4-pentoxyphenyl)phenyl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,3,4-thiadiazol-2-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)thiophen-2-yl]benzaldehyde has a molecular weight of 2349.07 g/mol, XLogP of 41.30, 57 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-octoxyphenyl)benzene;4-[5-(4-pentoxyphenyl)furan-2-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,3-oxazol-2-yl]benzaldehyde;4-[4-(4-pentoxyphenyl)phenyl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,3,4-thiadiazol-2-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)thiophen-2-yl]benzaldehyde is sourced from PubChem (CID 158127365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).