6-bromo-2-hydroxy-3-methoxybenzaldehyde;2-hydroxy-3-methoxybenzaldehyde

C16H15BrO6 — CID 160668969

IUPAC6-bromo-2-hydroxy-3-methoxybenzaldehyde;2-hydroxy-3-methoxybenzaldehyde
SMILESCOc1ccc(Br)c(C=O)c1O.COc1cccc(C=O)c1O
InChIInChI=1S/C8H7BrO3.C8H8O3/c1-12-7-3-2-6(9)5(4-10)8(7)11;1-11-7-4-2-3-6(5-9)8(7)10/h2-4,11H,1H3;2-5,10H,1H3
InChIKeyRMRGMZQTRACDNY-UHFFFAOYSA-N
MW383.19 g/mol
LogP3.19
Rot. Bonds4

About 6-bromo-2-hydroxy-3-methoxybenzaldehyde;2-hydroxy-3-methoxybenzaldehyde

6-bromo-2-hydroxy-3-methoxybenzaldehyde;2-hydroxy-3-methoxybenzaldehyde (PubChem CID 160668969) has the molecular formula C16H15BrO6 and a molecular weight of 383.19 g/mol. Its IUPAC name is 6-bromo-2-hydroxy-3-methoxybenzaldehyde;2-hydroxy-3-methoxybenzaldehyde.

Molecular Properties

Compound Name6-bromo-2-hydroxy-3-methoxybenzaldehyde;2-hydroxy-3-methoxybenzaldehyde
PubChem CID160668969
Molecular FormulaC16H15BrO6
Molecular Weight383.19 g/mol
Exact Mass382.01
IUPAC Name6-bromo-2-hydroxy-3-methoxybenzaldehyde;2-hydroxy-3-methoxybenzaldehyde
SMILESCOc1ccc(Br)c(C=O)c1O.COc1cccc(C=O)c1O
InChIInChI=1S/C8H7BrO3.C8H8O3/c1-12-7-3-2-6(9)5(4-10)8(7)11;1-11-7-4-2-3-6(5-9)8(7)10/h2-4,11H,1H3;2-5,10H,1H3
InChIKeyRMRGMZQTRACDNY-UHFFFAOYSA-N
XLogP3.19
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.19
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-3-methoxybenzaldehyde
CID 8991
2-hydroxy-3-methoxybenzaldehyde;methane
CID 165075137
copper;bis(2-hydroxy-3-methoxybenzaldehyde)
CID 50897387
ethene;2-hydroxy-3-methoxybenzaldehyde
CID 175162627
1-aminopropan-2-ol;2-hydroxy-3-methoxybenzaldehyde
CID 19867153
(3-bromo-2-formyl-6-methoxyphenyl) acetate
CID 10192904
2-acetyl-3-bromo-6-methoxybenzaldehyde
CID 171009062
2-hydroxy-3-methoxybenzaldehyde;pyridine-3-carboxylic acid
CID 175442040
(3-bromo-2-formyl-6-methoxyphenyl)methyl carbonate
CID 86741085
2-(2-formyl-6-methoxyphenyl)-3-methoxybenzaldehyde
CID 15694387
N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 136766974
2-[(E)-[(E)-(2-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]methyl]-6-methoxyphenol
CID 135473163

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-hydroxy-3-methoxybenzaldehyde;2-hydroxy-3-methoxybenzaldehyde?
The IUPAC name of 6-bromo-2-hydroxy-3-methoxybenzaldehyde;2-hydroxy-3-methoxybenzaldehyde (CID 160668969) is 6-bromo-2-hydroxy-3-methoxybenzaldehyde;2-hydroxy-3-methoxybenzaldehyde.
What is the SMILES notation for 6-bromo-2-hydroxy-3-methoxybenzaldehyde;2-hydroxy-3-methoxybenzaldehyde?
The canonical SMILES for 6-bromo-2-hydroxy-3-methoxybenzaldehyde;2-hydroxy-3-methoxybenzaldehyde is COc1ccc(Br)c(C=O)c1O.COc1cccc(C=O)c1O.
What is the InChIKey of 6-bromo-2-hydroxy-3-methoxybenzaldehyde;2-hydroxy-3-methoxybenzaldehyde?
The InChIKey is RMRGMZQTRACDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrO3.C8H8O3/c1-12-7-3-2-6(9)5(4-10)8(7)11;1-11-7-4-2-3-6(5-9)8(7)10/h2-4,11H,1H3;2-5,10H,1H3.
What are the key properties of 6-bromo-2-hydroxy-3-methoxybenzaldehyde;2-hydroxy-3-methoxybenzaldehyde?
6-bromo-2-hydroxy-3-methoxybenzaldehyde;2-hydroxy-3-methoxybenzaldehyde has a molecular weight of 383.19 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-hydroxy-3-methoxybenzaldehyde;2-hydroxy-3-methoxybenzaldehyde is sourced from PubChem (CID 160668969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).