3-bromo-2-methylbenzaldehyde;methoxymethane

C10H13BrO2 — CID 142299321

IUPAC3-bromo-2-methylbenzaldehyde;methoxymethane
SMILESCOC.Cc1c(Br)cccc1C=O
InChIInChI=1S/C8H7BrO.C2H6O/c1-6-7(5-10)3-2-4-8(6)9;1-3-2/h2-5H,1H3;1-2H3
InChIKeyNVEIVSZBBQKYJP-UHFFFAOYSA-N
MW245.12 g/mol
LogP2.83
Rot. Bonds1

About 3-bromo-2-methylbenzaldehyde;methoxymethane

3-bromo-2-methylbenzaldehyde;methoxymethane (PubChem CID 142299321) has the molecular formula C10H13BrO2 and a molecular weight of 245.12 g/mol. Its IUPAC name is 3-bromo-2-methylbenzaldehyde;methoxymethane.

Molecular Properties

Compound Name3-bromo-2-methylbenzaldehyde;methoxymethane
PubChem CID142299321
Molecular FormulaC10H13BrO2
Molecular Weight245.12 g/mol
Exact Mass244.01
IUPAC Name3-bromo-2-methylbenzaldehyde;methoxymethane
SMILESCOC.Cc1c(Br)cccc1C=O
InChIInChI=1S/C8H7BrO.C2H6O/c1-6-7(5-10)3-2-4-8(6)9;1-3-2/h2-5H,1H3;1-2H3
InChIKeyNVEIVSZBBQKYJP-UHFFFAOYSA-N
XLogP2.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-2-methylbenzaldehyde;N-methoxy-N-methylmethanamine
CID 144635456
2,3-dimethylbenzaldehyde;hydrazine
CID 158628869
3-(3-formyl-2-methylphenyl)-2-methylbenzaldehyde
CID 86188059
2-methyl-3-(methyliminomethyl)benzaldehyde
CID 169204727
8-bromonaphthalene-1-carbaldehyde
CID 13067255
benzaldehyde;2,3-dimethylbenzaldehyde
CID 174844516
1-bromo-3-methoxy-2-methylbenzene
CID 18505255
4-bromo-2-fluoro-3-methylbenzaldehyde
CID 99769903
3-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzaldehyde
CID 104563415
3-bromo-2-but-3-en-2-yloxybenzaldehyde
CID 62384153
3-bromo-2-butoxybenzaldehyde
CID 61390829
2-(2-formyl-6-methoxyphenyl)-3-methylbenzaldehyde
CID 175847419

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-methylbenzaldehyde;methoxymethane?
The IUPAC name of 3-bromo-2-methylbenzaldehyde;methoxymethane (CID 142299321) is 3-bromo-2-methylbenzaldehyde;methoxymethane.
What is the SMILES notation for 3-bromo-2-methylbenzaldehyde;methoxymethane?
The canonical SMILES for 3-bromo-2-methylbenzaldehyde;methoxymethane is COC.Cc1c(Br)cccc1C=O.
What is the InChIKey of 3-bromo-2-methylbenzaldehyde;methoxymethane?
The InChIKey is NVEIVSZBBQKYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrO.C2H6O/c1-6-7(5-10)3-2-4-8(6)9;1-3-2/h2-5H,1H3;1-2H3.
What are the key properties of 3-bromo-2-methylbenzaldehyde;methoxymethane?
3-bromo-2-methylbenzaldehyde;methoxymethane has a molecular weight of 245.12 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-methylbenzaldehyde;methoxymethane is sourced from PubChem (CID 142299321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).