6-bromo-2-[(E)-1,2-dichloroethenoxy]-3-methoxybenzaldehyde

C10H7BrCl2O3 — CID 25194733

IUPAC6-bromo-2-[(E)-1,2-dichloroethenoxy]-3-methoxybenzaldehyde
SMILESCOc1ccc(Br)c(C=O)c1O/C(Cl)=C\Cl
InChIInChI=1S/C10H7BrCl2O3/c1-15-8-3-2-7(11)6(5-14)10(8)16-9(13)4-12/h2-5H,1H3/b9-4-
InChIKeyWNUJNFCRDZFLGE-WTKPLQERSA-N
MW325.97 g/mol
LogP3.93
Rot. Bonds4

About 6-bromo-2-[(E)-1,2-dichloroethenoxy]-3-methoxybenzaldehyde

6-bromo-2-[(E)-1,2-dichloroethenoxy]-3-methoxybenzaldehyde (PubChem CID 25194733) has the molecular formula C10H7BrCl2O3 and a molecular weight of 325.97 g/mol. Its IUPAC name is 6-bromo-2-[(E)-1,2-dichloroethenoxy]-3-methoxybenzaldehyde.

Molecular Properties

Compound Name6-bromo-2-[(E)-1,2-dichloroethenoxy]-3-methoxybenzaldehyde
PubChem CID25194733
Molecular FormulaC10H7BrCl2O3
Molecular Weight325.97 g/mol
Exact Mass323.90
IUPAC Name6-bromo-2-[(E)-1,2-dichloroethenoxy]-3-methoxybenzaldehyde
SMILESCOc1ccc(Br)c(C=O)c1O/C(Cl)=C\Cl
InChIInChI=1S/C10H7BrCl2O3/c1-15-8-3-2-7(11)6(5-14)10(8)16-9(13)4-12/h2-5H,1H3/b9-4-
InChIKeyWNUJNFCRDZFLGE-WTKPLQERSA-N
XLogP3.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.97
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-[(E)-1,2-dichloroethenoxy]-3-methoxybenzaldehyde?
The IUPAC name of 6-bromo-2-[(E)-1,2-dichloroethenoxy]-3-methoxybenzaldehyde (CID 25194733) is 6-bromo-2-[(E)-1,2-dichloroethenoxy]-3-methoxybenzaldehyde.
What is the SMILES notation for 6-bromo-2-[(E)-1,2-dichloroethenoxy]-3-methoxybenzaldehyde?
The canonical SMILES for 6-bromo-2-[(E)-1,2-dichloroethenoxy]-3-methoxybenzaldehyde is COc1ccc(Br)c(C=O)c1O/C(Cl)=C\Cl.
What is the InChIKey of 6-bromo-2-[(E)-1,2-dichloroethenoxy]-3-methoxybenzaldehyde?
The InChIKey is WNUJNFCRDZFLGE-WTKPLQERSA-N. The full InChI is InChI=1S/C10H7BrCl2O3/c1-15-8-3-2-7(11)6(5-14)10(8)16-9(13)4-12/h2-5H,1H3/b9-4-.
What are the key properties of 6-bromo-2-[(E)-1,2-dichloroethenoxy]-3-methoxybenzaldehyde?
6-bromo-2-[(E)-1,2-dichloroethenoxy]-3-methoxybenzaldehyde has a molecular weight of 325.97 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-[(E)-1,2-dichloroethenoxy]-3-methoxybenzaldehyde is sourced from PubChem (CID 25194733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).