5-(5-acetylthiophen-2-yl)-2-hydroxy-3-methoxybenzaldehyde;2-hydroxy-3-methoxy-5-(2-methoxy-1,3-thiazol-5-yl)benzaldehyde;2-hydroxy-3-methoxy-5-pyridin-2-ylbenzaldehyde;2-hydroxy-3-methoxy-5-(2-pyridin-2-ylethynyl)benzaldehyde;2-hydroxy-3-methoxy-5-(2-thiophen-2-ylethynyl)benzaldehyde;2-hydroxy-5-(2-pyridin-2-ylethynyl)benzaldehyde;methane

C83H68N4O19S3 — CID 158377303

About 5-(5-acetylthiophen-2-yl)-2-hydroxy-3-methoxybenzaldehyde;2-hydroxy-3-methoxy-5-(2-methoxy-1,3-thiazol-5-yl)benzaldehyde;2-hydroxy-3-methoxy-5-pyridin-2-ylbenzaldehyde;2-hydroxy-3-methoxy-5-(2-pyridin-2-ylethynyl)benzaldehyde;2-hydroxy-3-methoxy-5-(2-thiophen-2-ylethynyl)benzaldehyde;2-hydroxy-5-(2-pyridin-2-ylethynyl)benzaldehyde;methane

5-(5-acetylthiophen-2-yl)-2-hydroxy-3-methoxybenzaldehyde;2-hydroxy-3-methoxy-5-(2-methoxy-1,3-thiazol-5-yl)benzaldehyde;2-hydroxy-3-methoxy-5-pyridin-2-ylbenzaldehyde;2-hydroxy-3-methoxy-5-(2-pyridin-2-ylethynyl)benzaldehyde;2-hydroxy-3-methoxy-5-(2-thiophen-2-ylethynyl)benzaldehyde;2-hydroxy-5-(2-pyridin-2-ylethynyl)benzaldehyde;methane (PubChem CID 158377303) has the molecular formula C83H68N4O19S3 and a molecular weight of 1521.67 g/mol. Its IUPAC name is 5-(5-acetylthiophen-2-yl)-2-hydroxy-3-methoxybenzaldehyde;2-hydroxy-3-methoxy-5-(2-methoxy-1,3-thiazol-5-yl)benzaldehyde;2-hydroxy-3-methoxy-5-pyridin-2-ylbenzaldehyde;2-hydroxy-3-methoxy-5-(2-pyridin-2-ylethynyl)benzaldehyde;2-hydroxy-3-methoxy-5-(2-thiophen-2-ylethynyl)benzaldehyde;2-hydroxy-5-(2-pyridin-2-ylethynyl)benzaldehyde;methane.

Molecular Properties

• Compound Name: 5-(5-acetylthiophen-2-yl)-2-hydroxy-3-methoxybenzaldehyde;2-hydroxy-3-methoxy-5-(2-methoxy-1,3-thiazol-5-yl)benzaldehyde;2-hydroxy-3-methoxy-5-pyridin-2-ylbenzaldehyde;2-hydroxy-3-methoxy-5-(2-pyridin-2-ylethynyl)benzaldehyde;2-hydroxy-3-methoxy-5-(2-thiophen-2-ylethynyl)benzaldehyde;2-hydroxy-5-(2-pyridin-2-ylethynyl)benzaldehyde;methane
• PubChem CID: 158377303
• Molecular Formula: C83H68N4O19S3
• Molecular Weight: 1521.67 g/mol
• Exact Mass: 1520.36
• IUPAC Name: 5-(5-acetylthiophen-2-yl)-2-hydroxy-3-methoxybenzaldehyde;2-hydroxy-3-methoxy-5-(2-methoxy-1,3-thiazol-5-yl)benzaldehyde;2-hydroxy-3-methoxy-5-pyridin-2-ylbenzaldehyde;2-hydroxy-3-methoxy-5-(2-pyridin-2-ylethynyl)benzaldehyde;2-hydroxy-3-methoxy-5-(2-thiophen-2-ylethynyl)benzaldehyde;2-hydroxy-5-(2-pyridin-2-ylethynyl)benzaldehyde;methane
• SMILES: C.COc1cc(-c2ccc(C(C)=O)s2)cc(C=O)c1O.COc1cc(-c2ccccn2)cc(C=O)c1O.COc1cc(C#Cc2ccccn2)cc(C=O)c1O.COc1cc(C#Cc2cccs2)cc(C=O)c1O.COc1ncc(-c2cc(C=O)c(O)c(OC)c2)s1.O=Cc1cc(C#Cc2ccccn2)ccc1O
• InChI: InChI=1S/C15H11NO3.C14H9NO2.C14H12O4S.C14H10O3S.C13H11NO3.C12H11NO4S.CH4/c1-19-14-9-11(8-12(10-17)15(14)18)5-6-13-4-2-3-7-16-13;16-10-12-9-11(5-7-14(12)17)4-6-13-3-1-2-8-15-13;1-8(16)12-3-4-13(19-12)9-5-10(7-15)14(17)11(6-9)18-2;1-17-13-8-10(7-11(9-15)14(13)16)4-5-12-3-2-6-18-12;1-17-12-7-9(6-10(8-15)13(12)16)11-4-2-3-5-14-11;1-16-9-4-7(3-8(6-14)11(9)15)10-5-13-12(17-2)18-10;/h2-4,7-10,18H,1H3;1-3,5,7-10,17H;3-7,17H,1-2H3;2-3,6-9,16H,1H3;2-8,16H,1H3;3-6,15H,1-2H3;1H4
• InChIKey: GVIYRKUJFPLFSK-UHFFFAOYSA-N
• XLogP: 15.08
• TPSA: 347.81 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 26
• Rotatable Bonds: 16
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1521.67
LogP ≤ 5	15.08
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(5-acetylthiophen-2-yl)-2-hydroxy-3-methoxybenzaldehyde;2-hydroxy-3-methoxy-5-(2-methoxy-1,3-thiazol-5-yl)benzaldehyde;2-hydroxy-3-methoxy-5-pyridin-2-ylbenzaldehyde;2-hydroxy-3-methoxy-5-(2-pyridin-2-ylethynyl)benzaldehyde;2-hydroxy-3-methoxy-5-(2-thiophen-2-ylethynyl)benzaldehyde;2-hydroxy-5-(2-pyridin-2-ylethynyl)benzaldehyde;methane?

The IUPAC name of 5-(5-acetylthiophen-2-yl)-2-hydroxy-3-methoxybenzaldehyde;2-hydroxy-3-methoxy-5-(2-methoxy-1,3-thiazol-5-yl)benzaldehyde;2-hydroxy-3-methoxy-5-pyridin-2-ylbenzaldehyde;2-hydroxy-3-methoxy-5-(2-pyridin-2-ylethynyl)benzaldehyde;2-hydroxy-3-methoxy-5-(2-thiophen-2-ylethynyl)benzaldehyde;2-hydroxy-5-(2-pyridin-2-ylethynyl)benzaldehyde;methane (CID 158377303) is 5-(5-acetylthiophen-2-yl)-2-hydroxy-3-methoxybenzaldehyde;2-hydroxy-3-methoxy-5-(2-methoxy-1,3-thiazol-5-yl)benzaldehyde;2-hydroxy-3-methoxy-5-pyridin-2-ylbenzaldehyde;2-hydroxy-3-methoxy-5-(2-pyridin-2-ylethynyl)benzaldehyde;2-hydroxy-3-methoxy-5-(2-thiophen-2-ylethynyl)benzaldehyde;2-hydroxy-5-(2-pyridin-2-ylethynyl)benzaldehyde;methane.

What is the SMILES notation for 5-(5-acetylthiophen-2-yl)-2-hydroxy-3-methoxybenzaldehyde;2-hydroxy-3-methoxy-5-(2-methoxy-1,3-thiazol-5-yl)benzaldehyde;2-hydroxy-3-methoxy-5-pyridin-2-ylbenzaldehyde;2-hydroxy-3-methoxy-5-(2-pyridin-2-ylethynyl)benzaldehyde;2-hydroxy-3-methoxy-5-(2-thiophen-2-ylethynyl)benzaldehyde;2-hydroxy-5-(2-pyridin-2-ylethynyl)benzaldehyde;methane?

The canonical SMILES for 5-(5-acetylthiophen-2-yl)-2-hydroxy-3-methoxybenzaldehyde;2-hydroxy-3-methoxy-5-(2-methoxy-1,3-thiazol-5-yl)benzaldehyde;2-hydroxy-3-methoxy-5-pyridin-2-ylbenzaldehyde;2-hydroxy-3-methoxy-5-(2-pyridin-2-ylethynyl)benzaldehyde;2-hydroxy-3-methoxy-5-(2-thiophen-2-ylethynyl)benzaldehyde;2-hydroxy-5-(2-pyridin-2-ylethynyl)benzaldehyde;methane is C.COc1cc(-c2ccc(C(C)=O)s2)cc(C=O)c1O.COc1cc(-c2ccccn2)cc(C=O)c1O.COc1cc(C#Cc2ccccn2)cc(C=O)c1O.COc1cc(C#Cc2cccs2)cc(C=O)c1O.COc1ncc(-c2cc(C=O)c(O)c(OC)c2)s1.O=Cc1cc(C#Cc2ccccn2)ccc1O.

What is the InChIKey of 5-(5-acetylthiophen-2-yl)-2-hydroxy-3-methoxybenzaldehyde;2-hydroxy-3-methoxy-5-(2-methoxy-1,3-thiazol-5-yl)benzaldehyde;2-hydroxy-3-methoxy-5-pyridin-2-ylbenzaldehyde;2-hydroxy-3-methoxy-5-(2-pyridin-2-ylethynyl)benzaldehyde;2-hydroxy-3-methoxy-5-(2-thiophen-2-ylethynyl)benzaldehyde;2-hydroxy-5-(2-pyridin-2-ylethynyl)benzaldehyde;methane?

The InChIKey is GVIYRKUJFPLFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3.C14H9NO2.C14H12O4S.C14H10O3S.C13H11NO3.C12H11NO4S.CH4/c1-19-14-9-11(8-12(10-17)15(14)18)5-6-13-4-2-3-7-16-13;16-10-12-9-11(5-7-14(12)17)4-6-13-3-1-2-8-15-13;1-8(16)12-3-4-13(19-12)9-5-10(7-15)14(17)11(6-9)18-2;1-17-13-8-10(7-11(9-15)14(13)16)4-5-12-3-2-6-18-12;1-17-12-7-9(6-10(8-15)13(12)16)11-4-2-3-5-14-11;1-16-9-4-7(3-8(6-14)11(9)15)10-5-13-12(17-2)18-10;/h2-4,7-10,18H,1H3;1-3,5,7-10,17H;3-7,17H,1-2H3;2-3,6-9,16H,1H3;2-8,16H,1H3;3-6,15H,1-2H3;1H4.

What are the key properties of 5-(5-acetylthiophen-2-yl)-2-hydroxy-3-methoxybenzaldehyde;2-hydroxy-3-methoxy-5-(2-methoxy-1,3-thiazol-5-yl)benzaldehyde;2-hydroxy-3-methoxy-5-pyridin-2-ylbenzaldehyde;2-hydroxy-3-methoxy-5-(2-pyridin-2-ylethynyl)benzaldehyde;2-hydroxy-3-methoxy-5-(2-thiophen-2-ylethynyl)benzaldehyde;2-hydroxy-5-(2-pyridin-2-ylethynyl)benzaldehyde;methane?

5-(5-acetylthiophen-2-yl)-2-hydroxy-3-methoxybenzaldehyde;2-hydroxy-3-methoxy-5-(2-methoxy-1,3-thiazol-5-yl)benzaldehyde;2-hydroxy-3-methoxy-5-pyridin-2-ylbenzaldehyde;2-hydroxy-3-methoxy-5-(2-pyridin-2-ylethynyl)benzaldehyde;2-hydroxy-3-methoxy-5-(2-thiophen-2-ylethynyl)benzaldehyde;2-hydroxy-5-(2-pyridin-2-ylethynyl)benzaldehyde;methane has a molecular weight of 1521.67 g/mol, XLogP of 15.08, 16 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(5-acetylthiophen-2-yl)-2-hydroxy-3-methoxybenzaldehyde;2-hydroxy-3-methoxy-5-(2-methoxy-1,3-thiazol-5-yl)benzaldehyde;2-hydroxy-3-methoxy-5-pyridin-2-ylbenzaldehyde;2-hydroxy-3-methoxy-5-(2-pyridin-2-ylethynyl)benzaldehyde;2-hydroxy-3-methoxy-5-(2-thiophen-2-ylethynyl)benzaldehyde;2-hydroxy-5-(2-pyridin-2-ylethynyl)benzaldehyde;methane is sourced from PubChem (CID 158377303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).