2-bromo-4-methoxy-5-(methoxymethoxy)benzaldehyde

C10H11BrO4 — CID 16637937

IUPAC2-bromo-4-methoxy-5-(methoxymethoxy)benzaldehyde
SMILESCOCOc1cc(C=O)c(Br)cc1OC
InChIInChI=1S/C10H11BrO4/c1-13-6-15-10-3-7(5-12)8(11)4-9(10)14-2/h3-5H,6H2,1-2H3
InChIKeySPOZBVUTJNAEKU-UHFFFAOYSA-N
MW275.10 g/mol
LogP2.25
Rot. Bonds5

About 2-bromo-4-methoxy-5-(methoxymethoxy)benzaldehyde

2-bromo-4-methoxy-5-(methoxymethoxy)benzaldehyde (PubChem CID 16637937) has the molecular formula C10H11BrO4 and a molecular weight of 275.10 g/mol. Its IUPAC name is 2-bromo-4-methoxy-5-(methoxymethoxy)benzaldehyde.

Molecular Properties

Compound Name2-bromo-4-methoxy-5-(methoxymethoxy)benzaldehyde
PubChem CID16637937
Molecular FormulaC10H11BrO4
Molecular Weight275.10 g/mol
Exact Mass273.98
IUPAC Name2-bromo-4-methoxy-5-(methoxymethoxy)benzaldehyde
SMILESCOCOc1cc(C=O)c(Br)cc1OC
InChIInChI=1S/C10H11BrO4/c1-13-6-15-10-3-7(5-12)8(11)4-9(10)14-2/h3-5H,6H2,1-2H3
InChIKeySPOZBVUTJNAEKU-UHFFFAOYSA-N
XLogP2.25
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.10
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-methoxy-5-(methoxymethoxy)benzaldehyde?
The IUPAC name of 2-bromo-4-methoxy-5-(methoxymethoxy)benzaldehyde (CID 16637937) is 2-bromo-4-methoxy-5-(methoxymethoxy)benzaldehyde.
What is the SMILES notation for 2-bromo-4-methoxy-5-(methoxymethoxy)benzaldehyde?
The canonical SMILES for 2-bromo-4-methoxy-5-(methoxymethoxy)benzaldehyde is COCOc1cc(C=O)c(Br)cc1OC.
What is the InChIKey of 2-bromo-4-methoxy-5-(methoxymethoxy)benzaldehyde?
The InChIKey is SPOZBVUTJNAEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO4/c1-13-6-15-10-3-7(5-12)8(11)4-9(10)14-2/h3-5H,6H2,1-2H3.
What are the key properties of 2-bromo-4-methoxy-5-(methoxymethoxy)benzaldehyde?
2-bromo-4-methoxy-5-(methoxymethoxy)benzaldehyde has a molecular weight of 275.10 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-methoxy-5-(methoxymethoxy)benzaldehyde is sourced from PubChem (CID 16637937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).