5-bromo-6-methoxy-2-methyl-1,3-benzodioxole-4-carbaldehyde

C10H9BrO4 — CID 15173305

IUPAC5-bromo-6-methoxy-2-methyl-1,3-benzodioxole-4-carbaldehyde
SMILESCOc1cc2c(c(C=O)c1Br)OC(C)O2
InChIInChI=1S/C10H9BrO4/c1-5-14-8-3-7(13-2)9(11)6(4-12)10(8)15-5/h3-5H,1-2H3
InChIKeyZQMDMPFOMROCQP-UHFFFAOYSA-N
MW273.08 g/mol
LogP2.39
Rot. Bonds2

About 5-bromo-6-methoxy-2-methyl-1,3-benzodioxole-4-carbaldehyde

5-bromo-6-methoxy-2-methyl-1,3-benzodioxole-4-carbaldehyde (PubChem CID 15173305) has the molecular formula C10H9BrO4 and a molecular weight of 273.08 g/mol. Its IUPAC name is 5-bromo-6-methoxy-2-methyl-1,3-benzodioxole-4-carbaldehyde.

Molecular Properties

Compound Name5-bromo-6-methoxy-2-methyl-1,3-benzodioxole-4-carbaldehyde
PubChem CID15173305
Molecular FormulaC10H9BrO4
Molecular Weight273.08 g/mol
Exact Mass271.97
IUPAC Name5-bromo-6-methoxy-2-methyl-1,3-benzodioxole-4-carbaldehyde
SMILESCOc1cc2c(c(C=O)c1Br)OC(C)O2
InChIInChI=1S/C10H9BrO4/c1-5-14-8-3-7(13-2)9(11)6(4-12)10(8)15-5/h3-5H,1-2H3
InChIKeyZQMDMPFOMROCQP-UHFFFAOYSA-N
XLogP2.39
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.08
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-3,6-dimethoxybenzaldehyde
CID 11356987
3-bromo-2-fluoro-6-hydroxy-4-methoxybenzaldehyde
CID 84706801
5-ethenyl-6-methoxy-2-methyl-1,3-benzodioxole
CID 142470845
2,3-dibromo-5,6-dimethoxybenzaldehyde
CID 7172125
4,7-dibromo-5-methoxy-1-benzofuran-2-carbaldehyde
CID 79416402
lithium 2-methanidyl-4,6-dimethoxybenzaldehyde
CID 10103889
2,4-dihydroxy-3,6-dimethoxybenzaldehyde
CID 71365717
N-[(5-bromo-2-methyl-1,3-benzodioxol-4-yl)methylidene]hydroxylamine
CID 76800437
1-(4-bromo-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanone
CID 117458829
2,4-dibromo-1,5-dimethoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
CID 59502123
2-bromo-6-methoxy-1-benzofuran-5-carbaldehyde
CID 83919931
4-tert-butyl-2,6-dimethoxybenzaldehyde
CID 138453760

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methoxy-2-methyl-1,3-benzodioxole-4-carbaldehyde?
The IUPAC name of 5-bromo-6-methoxy-2-methyl-1,3-benzodioxole-4-carbaldehyde (CID 15173305) is 5-bromo-6-methoxy-2-methyl-1,3-benzodioxole-4-carbaldehyde.
What is the SMILES notation for 5-bromo-6-methoxy-2-methyl-1,3-benzodioxole-4-carbaldehyde?
The canonical SMILES for 5-bromo-6-methoxy-2-methyl-1,3-benzodioxole-4-carbaldehyde is COc1cc2c(c(C=O)c1Br)OC(C)O2.
What is the InChIKey of 5-bromo-6-methoxy-2-methyl-1,3-benzodioxole-4-carbaldehyde?
The InChIKey is ZQMDMPFOMROCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrO4/c1-5-14-8-3-7(13-2)9(11)6(4-12)10(8)15-5/h3-5H,1-2H3.
What are the key properties of 5-bromo-6-methoxy-2-methyl-1,3-benzodioxole-4-carbaldehyde?
5-bromo-6-methoxy-2-methyl-1,3-benzodioxole-4-carbaldehyde has a molecular weight of 273.08 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-methoxy-2-methyl-1,3-benzodioxole-4-carbaldehyde is sourced from PubChem (CID 15173305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).