2-(3,5-dichloro-4-pyridinyl)-2-[3,4-dimethoxy-2-[2-(2-methoxyphenyl)-2-oxoethoxy]phenyl]acetaldehyde

About 2-(3,5-dichloro-4-pyridinyl)-2-[3,4-dimethoxy-2-[2-(2-methoxyphenyl)-2-oxoethoxy]phenyl]acetaldehyde

2-(3,5-dichloro-4-pyridinyl)-2-[3,4-dimethoxy-2-[2-(2-methoxyphenyl)-2-oxoethoxy]phenyl]acetaldehyde (PubChem CID 87172091) has the molecular formula C24H21Cl2NO6 and a molecular weight of 490.34 g/mol. Its IUPAC name is 2-(3,5-dichloro-4-pyridinyl)-2-[3,4-dimethoxy-2-[2-(2-methoxyphenyl)-2-oxoethoxy]phenyl]acetaldehyde.

Molecular Properties

Compound Name	2-(3,5-dichloro-4-pyridinyl)-2-[3,4-dimethoxy-2-[2-(2-methoxyphenyl)-2-oxoethoxy]phenyl]acetaldehyde
PubChem CID	87172091
Molecular Formula	C24H21Cl2NO6
Molecular Weight	490.34 g/mol
Exact Mass	489.07
IUPAC Name	2-(3,5-dichloro-4-pyridinyl)-2-[3,4-dimethoxy-2-[2-(2-methoxyphenyl)-2-oxoethoxy]phenyl]acetaldehyde
SMILES	COc1ccccc1C(=O)COc1c(C(C=O)c2c(Cl)cncc2Cl)ccc(OC)c1OC
InChI	InChI=1S/C24H21Cl2NO6/c1-30-20-7-5-4-6-15(20)19(29)13-33-23-14(8-9-21(31-2)24(23)32-3)16(12-28)22-17(25)10-27-11-18(22)26/h4-12,16H,13H2,1-3H3
InChIKey	WHBUKQNXMNKMCB-UHFFFAOYSA-N
XLogP	5.01
TPSA	83.95 Å²
H-Bond Donors
H-Bond Acceptors	7
Rotatable Bonds	10
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.34
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-4-pyridinyl)-2-[3,4-dimethoxy-2-[2-(2-methoxyphenyl)-2-oxoethoxy]phenyl]acetaldehyde?

The IUPAC name of 2-(3,5-dichloro-4-pyridinyl)-2-[3,4-dimethoxy-2-[2-(2-methoxyphenyl)-2-oxoethoxy]phenyl]acetaldehyde (CID 87172091) is 2-(3,5-dichloro-4-pyridinyl)-2-[3,4-dimethoxy-2-[2-(2-methoxyphenyl)-2-oxoethoxy]phenyl]acetaldehyde.

What is the SMILES notation for 2-(3,5-dichloro-4-pyridinyl)-2-[3,4-dimethoxy-2-[2-(2-methoxyphenyl)-2-oxoethoxy]phenyl]acetaldehyde?

The canonical SMILES for 2-(3,5-dichloro-4-pyridinyl)-2-[3,4-dimethoxy-2-[2-(2-methoxyphenyl)-2-oxoethoxy]phenyl]acetaldehyde is COc1ccccc1C(=O)COc1c(C(C=O)c2c(Cl)cncc2Cl)ccc(OC)c1OC.

What is the InChIKey of 2-(3,5-dichloro-4-pyridinyl)-2-[3,4-dimethoxy-2-[2-(2-methoxyphenyl)-2-oxoethoxy]phenyl]acetaldehyde?

The InChIKey is WHBUKQNXMNKMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2NO6/c1-30-20-7-5-4-6-15(20)19(29)13-33-23-14(8-9-21(31-2)24(23)32-3)16(12-28)22-17(25)10-27-11-18(22)26/h4-12,16H,13H2,1-3H3.

What are the key properties of 2-(3,5-dichloro-4-pyridinyl)-2-[3,4-dimethoxy-2-[2-(2-methoxyphenyl)-2-oxoethoxy]phenyl]acetaldehyde?

2-(3,5-dichloro-4-pyridinyl)-2-[3,4-dimethoxy-2-[2-(2-methoxyphenyl)-2-oxoethoxy]phenyl]acetaldehyde has a molecular weight of 490.34 g/mol, XLogP of 5.01, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,5-dichloro-4-pyridinyl)-2-[3,4-dimethoxy-2-[2-(2-methoxyphenyl)-2-oxoethoxy]phenyl]acetaldehyde is sourced from PubChem (CID 87172091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).