1-methyl-4-(4-octoxyphenyl)benzene;4-[5-(4-methylphenyl)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

C147H150N4O15S2 — CID 161179928

About 1-methyl-4-(4-octoxyphenyl)benzene;4-[5-(4-methylphenyl)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-methylphenyl)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 161179928) has the molecular formula C147H150N4O15S2 and a molecular weight of 2276.96 g/mol. Its IUPAC name is 1-methyl-4-(4-octoxyphenyl)benzene;4-[5-(4-methylphenyl)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 Name: 1-methyl-4-(4-octoxyphenyl)benzene;4-[5-(4-methylphenyl)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: 161179928
• Molecular Formula: C147H150N4O15S2
• Molecular Weight: 2276.96 g/mol
• Exact Mass: 2275.05
• IUPAC Name: 1-methyl-4-(4-octoxyphenyl)benzene;4-[5-(4-methylphenyl)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
• SMILES: 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)s2)cc1.CCCCCOc1ccc(-c2cnc(-c3ccc(C=O)cc3)o2)cc1.CCCCCOc1ccc(-c2nnc(-c3ccc(C=O)cc3)s2)cc1.Cc1ccc(-c2ccc(-c3ccc(C=O)cc3)o2)cc1
• InChI: InChI=1S/C24H24O2.C22H22O2S.2C21H21NO3.C21H28O.C20H20N2O2S.C18H14O2/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;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;1-13-2-6-15(7-3-13)17-10-11-18(20-17)16-8-4-14(12-19)5-9-16/h5-16,18H,2-4,17H2,1H3;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;2-12H,1H3
• InChIKey: USHSXQJDLSBKPB-UHFFFAOYSA-N
• XLogP: 40.04
• TPSA: 248.78 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 52
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2276.96
LogP ≤ 5	40.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-octoxyphenyl)benzene;4-[5-(4-methylphenyl)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-methylphenyl)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 161179928) is 1-methyl-4-(4-octoxyphenyl)benzene;4-[5-(4-methylphenyl)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-methylphenyl)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-methylphenyl)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)s2)cc1.CCCCCOc1ccc(-c2cnc(-c3ccc(C=O)cc3)o2)cc1.CCCCCOc1ccc(-c2nnc(-c3ccc(C=O)cc3)s2)cc1.Cc1ccc(-c2ccc(-c3ccc(C=O)cc3)o2)cc1.

What is the InChIKey of 1-methyl-4-(4-octoxyphenyl)benzene;4-[5-(4-methylphenyl)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 USHSXQJDLSBKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O2.C22H22O2S.2C21H21NO3.C21H28O.C20H20N2O2S.C18H14O2/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;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;1-13-2-6-15(7-3-13)17-10-11-18(20-17)16-8-4-14(12-19)5-9-16/h5-16,18H,2-4,17H2,1H3;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;2-12H,1H3.

What are the key properties of 1-methyl-4-(4-octoxyphenyl)benzene;4-[5-(4-methylphenyl)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-methylphenyl)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 2276.96 g/mol, XLogP of 40.04, 52 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-4-(4-octoxyphenyl)benzene;4-[5-(4-methylphenyl)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 161179928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).