(3-bromo-2-formyl-6-methoxyphenyl) acetate

C10H9BrO4 — CID 10192904

IUPAC(3-bromo-2-formyl-6-methoxyphenyl) acetate
SMILESCOc1ccc(Br)c(C=O)c1OC(C)=O
InChIInChI=1S/C10H9BrO4/c1-6(13)15-10-7(5-12)8(11)3-4-9(10)14-2/h3-5H,1-2H3
InChIKeyHHFQQGZFRGSXCR-UHFFFAOYSA-N
MW273.08 g/mol
LogP2.20
Rot. Bonds3

About (3-bromo-2-formyl-6-methoxyphenyl) acetate

(3-bromo-2-formyl-6-methoxyphenyl) acetate (PubChem CID 10192904) has the molecular formula C10H9BrO4 and a molecular weight of 273.08 g/mol. Its IUPAC name is (3-bromo-2-formyl-6-methoxyphenyl) acetate.

Molecular Properties

Compound Name(3-bromo-2-formyl-6-methoxyphenyl) acetate
PubChem CID10192904
Molecular FormulaC10H9BrO4
Molecular Weight273.08 g/mol
Exact Mass271.97
IUPAC Name(3-bromo-2-formyl-6-methoxyphenyl) acetate
SMILESCOc1ccc(Br)c(C=O)c1OC(C)=O
InChIInChI=1S/C10H9BrO4/c1-6(13)15-10-7(5-12)8(11)3-4-9(10)14-2/h3-5H,1-2H3
InChIKeyHHFQQGZFRGSXCR-UHFFFAOYSA-N
XLogP2.20
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.08
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-2-[(E)-1,2-dichloroethenoxy]-3-methoxybenzaldehyde
CID 25194733
(3-bromo-2,6-dimethoxyphenyl) acetate
CID 91102883
2-acetyl-3-bromo-6-methoxybenzaldehyde
CID 171009062
6-bromo-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxybenzaldehyde
CID 167722100
6-bromo-3-methoxy-2-propoxybenzaldehyde
CID 66529298
(2-chloro-3-formyl-6-methoxyphenyl) acetate
CID 14450993
(3-bromo-4-formyl-2,6-dimethoxyphenyl) acetate
CID 22633147
2-(3-bromo-2-formyl-6-methoxyphenoxy)-N-(4-methylphenyl)acetamide
CID 66529290
(2-formyl-3,5-dimethoxy-6-methylphenyl) acetate
CID 131861598
4-bromo-2-methoxybenzene-1,3-dicarbaldehyde
CID 171003528
6-bromo-2-hydroxy-3-methoxybenzaldehyde;2-hydroxy-3-methoxybenzaldehyde
CID 160668969
3-acetyl-2-bromo-6-methoxybenzaldehyde
CID 171009224

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-formyl-6-methoxyphenyl) acetate?
The IUPAC name of (3-bromo-2-formyl-6-methoxyphenyl) acetate (CID 10192904) is (3-bromo-2-formyl-6-methoxyphenyl) acetate.
What is the SMILES notation for (3-bromo-2-formyl-6-methoxyphenyl) acetate?
The canonical SMILES for (3-bromo-2-formyl-6-methoxyphenyl) acetate is COc1ccc(Br)c(C=O)c1OC(C)=O.
What is the InChIKey of (3-bromo-2-formyl-6-methoxyphenyl) acetate?
The InChIKey is HHFQQGZFRGSXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrO4/c1-6(13)15-10-7(5-12)8(11)3-4-9(10)14-2/h3-5H,1-2H3.
What are the key properties of (3-bromo-2-formyl-6-methoxyphenyl) acetate?
(3-bromo-2-formyl-6-methoxyphenyl) acetate has a molecular weight of 273.08 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-formyl-6-methoxyphenyl) acetate is sourced from PubChem (CID 10192904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).