2-bromo-4-methoxy-3-(methoxymethyl)benzaldehyde

C10H11BrO3 — CID 174699052

IUPAC2-bromo-4-methoxy-3-(methoxymethyl)benzaldehyde
SMILESCOCc1c(OC)ccc(C=O)c1Br
InChIInChI=1S/C10H11BrO3/c1-13-6-8-9(14-2)4-3-7(5-12)10(8)11/h3-5H,6H2,1-2H3
InChIKeyWKEHWFOKSFJXMX-UHFFFAOYSA-N
MW259.10 g/mol
LogP2.42
Rot. Bonds4

About 2-bromo-4-methoxy-3-(methoxymethyl)benzaldehyde

2-bromo-4-methoxy-3-(methoxymethyl)benzaldehyde (PubChem CID 174699052) has the molecular formula C10H11BrO3 and a molecular weight of 259.10 g/mol. Its IUPAC name is 2-bromo-4-methoxy-3-(methoxymethyl)benzaldehyde.

Molecular Properties

Compound Name2-bromo-4-methoxy-3-(methoxymethyl)benzaldehyde
PubChem CID174699052
Molecular FormulaC10H11BrO3
Molecular Weight259.10 g/mol
Exact Mass257.99
IUPAC Name2-bromo-4-methoxy-3-(methoxymethyl)benzaldehyde
SMILESCOCc1c(OC)ccc(C=O)c1Br
InChIInChI=1S/C10H11BrO3/c1-13-6-8-9(14-2)4-3-7(5-12)10(8)11/h3-5H,6H2,1-2H3
InChIKeyWKEHWFOKSFJXMX-UHFFFAOYSA-N
XLogP2.42
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,6-dimethoxy-2-(methoxymethyl)benzaldehyde
CID 10512624
1,3-dimethoxy-2-(methoxymethyl)benzene
CID 86183606
1-bromo-2,4-dimethoxy-3-(methoxymethyl)benzene
CID 10989047
2-bromo-4-methoxy-3-prop-2-ynoxybenzaldehyde
CID 167723081
3-(2-bromo-3,6-dimethoxyphenyl)propanal
CID 117435067
2-bromo-3-(methoxymethoxy)benzaldehyde
CID 59515258
2-bromo-3,6-dimethoxybenzaldehyde
CID 11356987
(2-bromo-3-formyl-6-methoxyphenyl) benzoate
CID 175333431
2-[3,6-dimethoxy-2-(methoxymethyl)phenyl]acetic acid
CID 117353050
2-butyl-3-methoxybenzaldehyde
CID 86170278
2-bromo-3-ethyl-1,4-dimethoxybenzene
CID 84704847
2,4-dimethoxybenzene-1,3-dicarbaldehyde
CID 11615337

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-methoxy-3-(methoxymethyl)benzaldehyde?
The IUPAC name of 2-bromo-4-methoxy-3-(methoxymethyl)benzaldehyde (CID 174699052) is 2-bromo-4-methoxy-3-(methoxymethyl)benzaldehyde.
What is the SMILES notation for 2-bromo-4-methoxy-3-(methoxymethyl)benzaldehyde?
The canonical SMILES for 2-bromo-4-methoxy-3-(methoxymethyl)benzaldehyde is COCc1c(OC)ccc(C=O)c1Br.
What is the InChIKey of 2-bromo-4-methoxy-3-(methoxymethyl)benzaldehyde?
The InChIKey is WKEHWFOKSFJXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO3/c1-13-6-8-9(14-2)4-3-7(5-12)10(8)11/h3-5H,6H2,1-2H3.
What are the key properties of 2-bromo-4-methoxy-3-(methoxymethyl)benzaldehyde?
2-bromo-4-methoxy-3-(methoxymethyl)benzaldehyde has a molecular weight of 259.10 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-methoxy-3-(methoxymethyl)benzaldehyde is sourced from PubChem (CID 174699052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).