4-bromo-2-(methoxymethyl)-5-methylbenzaldehyde

C10H11BrO2 — CID 170290856

IUPAC4-bromo-2-(methoxymethyl)-5-methylbenzaldehyde
SMILESCOCc1cc(Br)c(C)cc1C=O
InChIInChI=1S/C10H11BrO2/c1-7-3-8(5-12)9(6-13-2)4-10(7)11/h3-5H,6H2,1-2H3
InChIKeyNNIMUSJENMPKSV-UHFFFAOYSA-N
MW243.10 g/mol
LogP2.72
Rot. Bonds3

About 4-bromo-2-(methoxymethyl)-5-methylbenzaldehyde

4-bromo-2-(methoxymethyl)-5-methylbenzaldehyde (PubChem CID 170290856) has the molecular formula C10H11BrO2 and a molecular weight of 243.10 g/mol. Its IUPAC name is 4-bromo-2-(methoxymethyl)-5-methylbenzaldehyde.

Molecular Properties

Compound Name4-bromo-2-(methoxymethyl)-5-methylbenzaldehyde
PubChem CID170290856
Molecular FormulaC10H11BrO2
Molecular Weight243.10 g/mol
Exact Mass241.99
IUPAC Name4-bromo-2-(methoxymethyl)-5-methylbenzaldehyde
SMILESCOCc1cc(Br)c(C)cc1C=O
InChIInChI=1S/C10H11BrO2/c1-7-3-8(5-12)9(6-13-2)4-10(7)11/h3-5H,6H2,1-2H3
InChIKeyNNIMUSJENMPKSV-UHFFFAOYSA-N
XLogP2.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 52.72
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

1-bromo-2-methyl-4,5-bis(methylperoxymethyl)benzene
CID 21350842
ethyl 4-bromo-2-formyl-5-methylbenzoate
CID 171010216
5-methoxy-3-(methoxymethyl)phthalaldehyde
CID 86118704
2,3-dihydroxy-6-(methoxymethyl)-4-methylbenzaldehyde
CID 150672330
5-bromo-4-fluoro-2,3-dimethoxybenzaldehyde
CID 84710945
5-bromo-4-methyl-2-(trifluoromethyl)benzaldehyde
CID 90394938
2,3-dimethoxy-4,5-dimethylbenzaldehyde
CID 66545575
5-bromo-3-methyl-2-propan-2-yloxybenzaldehyde
CID 83901418
5-bromo-2-cyclopropyl-4-methylbenzaldehyde
CID 90394913
4-bromo-2-hexylsulfanyl-5-methylbenzaldehyde
CID 88980764
3-[(5-bromo-2-formyl-4-methylphenoxy)methyl]benzonitrile
CID 166973593
3,5-dibromo-2,4-dimethoxybenzaldehyde
CID 42626303

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(methoxymethyl)-5-methylbenzaldehyde?
The IUPAC name of 4-bromo-2-(methoxymethyl)-5-methylbenzaldehyde (CID 170290856) is 4-bromo-2-(methoxymethyl)-5-methylbenzaldehyde.
What is the SMILES notation for 4-bromo-2-(methoxymethyl)-5-methylbenzaldehyde?
The canonical SMILES for 4-bromo-2-(methoxymethyl)-5-methylbenzaldehyde is COCc1cc(Br)c(C)cc1C=O.
What is the InChIKey of 4-bromo-2-(methoxymethyl)-5-methylbenzaldehyde?
The InChIKey is NNIMUSJENMPKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO2/c1-7-3-8(5-12)9(6-13-2)4-10(7)11/h3-5H,6H2,1-2H3.
What are the key properties of 4-bromo-2-(methoxymethyl)-5-methylbenzaldehyde?
4-bromo-2-(methoxymethyl)-5-methylbenzaldehyde has a molecular weight of 243.10 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(methoxymethyl)-5-methylbenzaldehyde is sourced from PubChem (CID 170290856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).