5-chloro-4-[[3-[3-[(2-chloro-4-formyl-5-hydroxyphenoxy)methyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-hydroxybenzaldehyde

C30H24Cl2O6 — CID 134282624

About 5-chloro-4-[[3-[3-[(2-chloro-4-formyl-5-hydroxyphenoxy)methyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-hydroxybenzaldehyde

5-chloro-4-[[3-[3-[(2-chloro-4-formyl-5-hydroxyphenoxy)methyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-hydroxybenzaldehyde (PubChem CID 134282624) has the molecular formula C30H24Cl2O6 and a molecular weight of 551.42 g/mol. Its IUPAC name is 5-chloro-4-[[3-[3-[(2-chloro-4-formyl-5-hydroxyphenoxy)methyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-hydroxybenzaldehyde.

Molecular Properties

• Compound Name: 5-chloro-4-[[3-[3-[(2-chloro-4-formyl-5-hydroxyphenoxy)methyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-hydroxybenzaldehyde
• PubChem CID: 134282624
• Molecular Formula: C30H24Cl2O6
• Molecular Weight: 551.42 g/mol
• Exact Mass: 550.09
• IUPAC Name: 5-chloro-4-[[3-[3-[(2-chloro-4-formyl-5-hydroxyphenoxy)methyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-hydroxybenzaldehyde
• SMILES: Cc1c(COc2cc(O)c(C=O)cc2Cl)cccc1-c1cccc(COc2cc(O)c(C=O)cc2Cl)c1C
• InChI: InChI=1S/C30H24Cl2O6/c1-17-19(15-37-29-11-27(35)21(13-33)9-25(29)31)5-3-7-23(17)24-8-4-6-20(18(24)2)16-38-30-12-28(36)22(14-34)10-26(30)32/h3-14,35-36H,15-16H2,1-2H3
• InChIKey: MZOPBVZIWVFYRU-UHFFFAOYSA-N
• XLogP: 7.47
• TPSA: 93.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	551.42
LogP ≤ 5	7.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[[3-[3-[(2-chloro-4-formyl-5-hydroxyphenoxy)methyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-hydroxybenzaldehyde?

The IUPAC name of 5-chloro-4-[[3-[3-[(2-chloro-4-formyl-5-hydroxyphenoxy)methyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-hydroxybenzaldehyde (CID 134282624) is 5-chloro-4-[[3-[3-[(2-chloro-4-formyl-5-hydroxyphenoxy)methyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-hydroxybenzaldehyde.

What is the SMILES notation for 5-chloro-4-[[3-[3-[(2-chloro-4-formyl-5-hydroxyphenoxy)methyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-hydroxybenzaldehyde?

The canonical SMILES for 5-chloro-4-[[3-[3-[(2-chloro-4-formyl-5-hydroxyphenoxy)methyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-hydroxybenzaldehyde is Cc1c(COc2cc(O)c(C=O)cc2Cl)cccc1-c1cccc(COc2cc(O)c(C=O)cc2Cl)c1C.

What is the InChIKey of 5-chloro-4-[[3-[3-[(2-chloro-4-formyl-5-hydroxyphenoxy)methyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-hydroxybenzaldehyde?

The InChIKey is MZOPBVZIWVFYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24Cl2O6/c1-17-19(15-37-29-11-27(35)21(13-33)9-25(29)31)5-3-7-23(17)24-8-4-6-20(18(24)2)16-38-30-12-28(36)22(14-34)10-26(30)32/h3-14,35-36H,15-16H2,1-2H3.

What are the key properties of 5-chloro-4-[[3-[3-[(2-chloro-4-formyl-5-hydroxyphenoxy)methyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-hydroxybenzaldehyde?

5-chloro-4-[[3-[3-[(2-chloro-4-formyl-5-hydroxyphenoxy)methyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-hydroxybenzaldehyde has a molecular weight of 551.42 g/mol, XLogP of 7.47, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-4-[[3-[3-[(2-chloro-4-formyl-5-hydroxyphenoxy)methyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-hydroxybenzaldehyde is sourced from PubChem (CID 134282624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).