2-(3,5-dibromophenyl)-3,5-dimethoxybenzaldehyde

C15H12Br2O3 — CID 126601684

IUPAC2-(3,5-dibromophenyl)-3,5-dimethoxybenzaldehyde
SMILESCOc1cc(C=O)c(-c2cc(Br)cc(Br)c2)c(OC)c1
InChIInChI=1S/C15H12Br2O3/c1-19-13-5-10(8-18)15(14(7-13)20-2)9-3-11(16)6-12(17)4-9/h3-8H,1-2H3
InChIKeyUVMADZRILHFVTJ-UHFFFAOYSA-N
MW400.07 g/mol
LogP4.71
Rot. Bonds4

About 2-(3,5-dibromophenyl)-3,5-dimethoxybenzaldehyde

2-(3,5-dibromophenyl)-3,5-dimethoxybenzaldehyde (PubChem CID 126601684) has the molecular formula C15H12Br2O3 and a molecular weight of 400.07 g/mol. Its IUPAC name is 2-(3,5-dibromophenyl)-3,5-dimethoxybenzaldehyde.

Molecular Properties

Compound Name2-(3,5-dibromophenyl)-3,5-dimethoxybenzaldehyde
PubChem CID126601684
Molecular FormulaC15H12Br2O3
Molecular Weight400.07 g/mol
Exact Mass397.92
IUPAC Name2-(3,5-dibromophenyl)-3,5-dimethoxybenzaldehyde
SMILESCOc1cc(C=O)c(-c2cc(Br)cc(Br)c2)c(OC)c1
InChIInChI=1S/C15H12Br2O3/c1-19-13-5-10(8-18)15(14(7-13)20-2)9-3-11(16)6-12(17)4-9/h3-8H,1-2H3
InChIKeyUVMADZRILHFVTJ-UHFFFAOYSA-N
XLogP4.71
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.07
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dibromophenyl)-3,5-dimethoxybenzaldehyde?
The IUPAC name of 2-(3,5-dibromophenyl)-3,5-dimethoxybenzaldehyde (CID 126601684) is 2-(3,5-dibromophenyl)-3,5-dimethoxybenzaldehyde.
What is the SMILES notation for 2-(3,5-dibromophenyl)-3,5-dimethoxybenzaldehyde?
The canonical SMILES for 2-(3,5-dibromophenyl)-3,5-dimethoxybenzaldehyde is COc1cc(C=O)c(-c2cc(Br)cc(Br)c2)c(OC)c1.
What is the InChIKey of 2-(3,5-dibromophenyl)-3,5-dimethoxybenzaldehyde?
The InChIKey is UVMADZRILHFVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2O3/c1-19-13-5-10(8-18)15(14(7-13)20-2)9-3-11(16)6-12(17)4-9/h3-8H,1-2H3.
What are the key properties of 2-(3,5-dibromophenyl)-3,5-dimethoxybenzaldehyde?
2-(3,5-dibromophenyl)-3,5-dimethoxybenzaldehyde has a molecular weight of 400.07 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dibromophenyl)-3,5-dimethoxybenzaldehyde is sourced from PubChem (CID 126601684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).