6-(2,5-dichlorophenyl)-2,3,4-trimethoxybenzaldehyde

C16H14Cl2O4 — CID 39234327

IUPAC6-(2,5-dichlorophenyl)-2,3,4-trimethoxybenzaldehyde
SMILESCOc1cc(-c2cc(Cl)ccc2Cl)c(C=O)c(OC)c1OC
InChIInChI=1S/C16H14Cl2O4/c1-20-14-7-10(11-6-9(17)4-5-13(11)18)12(8-19)15(21-2)16(14)22-3/h4-8H,1-3H3
InChIKeyVTQCYHPAARIZFT-UHFFFAOYSA-N
MW341.19 g/mol
LogP4.50
Rot. Bonds5

About 6-(2,5-dichlorophenyl)-2,3,4-trimethoxybenzaldehyde

6-(2,5-dichlorophenyl)-2,3,4-trimethoxybenzaldehyde (PubChem CID 39234327) has the molecular formula C16H14Cl2O4 and a molecular weight of 341.19 g/mol. Its IUPAC name is 6-(2,5-dichlorophenyl)-2,3,4-trimethoxybenzaldehyde.

Molecular Properties

Compound Name6-(2,5-dichlorophenyl)-2,3,4-trimethoxybenzaldehyde
PubChem CID39234327
Molecular FormulaC16H14Cl2O4
Molecular Weight341.19 g/mol
Exact Mass340.03
IUPAC Name6-(2,5-dichlorophenyl)-2,3,4-trimethoxybenzaldehyde
SMILESCOc1cc(-c2cc(Cl)ccc2Cl)c(C=O)c(OC)c1OC
InChIInChI=1S/C16H14Cl2O4/c1-20-14-7-10(11-6-9(17)4-5-13(11)18)12(8-19)15(21-2)16(14)22-3/h4-8H,1-3H3
InChIKeyVTQCYHPAARIZFT-UHFFFAOYSA-N
XLogP4.50
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.19
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dichlorophenyl)-2,3,4-trimethoxybenzaldehyde?
The IUPAC name of 6-(2,5-dichlorophenyl)-2,3,4-trimethoxybenzaldehyde (CID 39234327) is 6-(2,5-dichlorophenyl)-2,3,4-trimethoxybenzaldehyde.
What is the SMILES notation for 6-(2,5-dichlorophenyl)-2,3,4-trimethoxybenzaldehyde?
The canonical SMILES for 6-(2,5-dichlorophenyl)-2,3,4-trimethoxybenzaldehyde is COc1cc(-c2cc(Cl)ccc2Cl)c(C=O)c(OC)c1OC.
What is the InChIKey of 6-(2,5-dichlorophenyl)-2,3,4-trimethoxybenzaldehyde?
The InChIKey is VTQCYHPAARIZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2O4/c1-20-14-7-10(11-6-9(17)4-5-13(11)18)12(8-19)15(21-2)16(14)22-3/h4-8H,1-3H3.
What are the key properties of 6-(2,5-dichlorophenyl)-2,3,4-trimethoxybenzaldehyde?
6-(2,5-dichlorophenyl)-2,3,4-trimethoxybenzaldehyde has a molecular weight of 341.19 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dichlorophenyl)-2,3,4-trimethoxybenzaldehyde is sourced from PubChem (CID 39234327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).