6-bromo-4-(2-hydroxyethyl)-2,3-dimethoxybenzaldehyde

C11H13BrO4 — CID 117466700

IUPAC6-bromo-4-(2-hydroxyethyl)-2,3-dimethoxybenzaldehyde
SMILESCOc1c(CCO)cc(Br)c(C=O)c1OC
InChIInChI=1S/C11H13BrO4/c1-15-10-7(3-4-13)5-9(12)8(6-14)11(10)16-2/h5-6,13H,3-4H2,1-2H3
InChIKeyUOBQYJPFUMBCJL-UHFFFAOYSA-N
MW289.12 g/mol
LogP1.81
Rot. Bonds5

About 6-bromo-4-(2-hydroxyethyl)-2,3-dimethoxybenzaldehyde

6-bromo-4-(2-hydroxyethyl)-2,3-dimethoxybenzaldehyde (PubChem CID 117466700) has the molecular formula C11H13BrO4 and a molecular weight of 289.12 g/mol. Its IUPAC name is 6-bromo-4-(2-hydroxyethyl)-2,3-dimethoxybenzaldehyde.

Molecular Properties

Compound Name6-bromo-4-(2-hydroxyethyl)-2,3-dimethoxybenzaldehyde
PubChem CID117466700
Molecular FormulaC11H13BrO4
Molecular Weight289.12 g/mol
Exact Mass288.00
IUPAC Name6-bromo-4-(2-hydroxyethyl)-2,3-dimethoxybenzaldehyde
SMILESCOc1c(CCO)cc(Br)c(C=O)c1OC
InChIInChI=1S/C11H13BrO4/c1-15-10-7(3-4-13)5-9(12)8(6-14)11(10)16-2/h5-6,13H,3-4H2,1-2H3
InChIKeyUOBQYJPFUMBCJL-UHFFFAOYSA-N
XLogP1.81
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.12
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(5-bromo-3-fluoro-2,4-dimethoxyphenyl)ethanol
CID 117447343
6-chloro-4-(hydroxymethyl)-2,3-dimethoxybenzaldehyde
CID 84693990
2-(5-bromo-3,4-dimethoxy-2-propan-2-ylphenyl)ethanol
CID 117488210
2-(4-bromo-2-methoxy-3,5-dimethylphenyl)ethanol
CID 117400972
6-bromo-3-hydroxy-2-methoxy-4-(morpholin-4-ylmethyl)benzaldehyde
CID 53474473
2-(2-hydroxyethyl)-4,6-dimethylbenzaldehyde
CID 131744702
2-[5-bromo-2-methoxy-3-(trifluoromethyl)phenyl]ethanol
CID 117481446
2-(4-methoxy-2,3,5-trimethylphenyl)ethanol
CID 82469086
4-bromo-2-methoxybenzene-1,3-dicarbaldehyde
CID 171003528
3-(3-bromo-2,5-dimethoxyphenyl)propanal
CID 117434967
6-chloro-4-[(hydroxyamino)methyl]-2,3-dimethoxybenzaldehyde
CID 117366491
6-bromo-2-methoxy-3-methyl-4-propan-2-yloxybenzaldehyde
CID 11266173

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-(2-hydroxyethyl)-2,3-dimethoxybenzaldehyde?
The IUPAC name of 6-bromo-4-(2-hydroxyethyl)-2,3-dimethoxybenzaldehyde (CID 117466700) is 6-bromo-4-(2-hydroxyethyl)-2,3-dimethoxybenzaldehyde.
What is the SMILES notation for 6-bromo-4-(2-hydroxyethyl)-2,3-dimethoxybenzaldehyde?
The canonical SMILES for 6-bromo-4-(2-hydroxyethyl)-2,3-dimethoxybenzaldehyde is COc1c(CCO)cc(Br)c(C=O)c1OC.
What is the InChIKey of 6-bromo-4-(2-hydroxyethyl)-2,3-dimethoxybenzaldehyde?
The InChIKey is UOBQYJPFUMBCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO4/c1-15-10-7(3-4-13)5-9(12)8(6-14)11(10)16-2/h5-6,13H,3-4H2,1-2H3.
What are the key properties of 6-bromo-4-(2-hydroxyethyl)-2,3-dimethoxybenzaldehyde?
6-bromo-4-(2-hydroxyethyl)-2,3-dimethoxybenzaldehyde has a molecular weight of 289.12 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-(2-hydroxyethyl)-2,3-dimethoxybenzaldehyde is sourced from PubChem (CID 117466700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).