3-bromo-2-hydroxy-5-methylbenzaldehyde

C8H7BrO2 — CID 2757015

IUPAC3-bromo-2-hydroxy-5-methylbenzaldehyde
SMILESCc1cc(Br)c(O)c(C=O)c1
InChIInChI=1S/C8H7BrO2/c1-5-2-6(4-10)8(11)7(9)3-5/h2-4,11H,1H3
InChIKeyLCZDQTSSLMAXCI-UHFFFAOYSA-N
MW215.05 g/mol
LogP2.28
Rot. Bonds1

About 3-bromo-2-hydroxy-5-methylbenzaldehyde

3-bromo-2-hydroxy-5-methylbenzaldehyde (PubChem CID 2757015) has the molecular formula C8H7BrO2 and a molecular weight of 215.05 g/mol. Its IUPAC name is 3-bromo-2-hydroxy-5-methylbenzaldehyde.

Molecular Properties

Compound Name3-bromo-2-hydroxy-5-methylbenzaldehyde
PubChem CID2757015
Molecular FormulaC8H7BrO2
Molecular Weight215.05 g/mol
Exact Mass213.96
IUPAC Name3-bromo-2-hydroxy-5-methylbenzaldehyde
SMILESCc1cc(Br)c(O)c(C=O)c1
InChIInChI=1S/C8H7BrO2/c1-5-2-6(4-10)8(11)7(9)3-5/h2-4,11H,1H3
InChIKeyLCZDQTSSLMAXCI-UHFFFAOYSA-N
XLogP2.28
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.05
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-hydroxy-5-methylbenzaldehyde?
The IUPAC name of 3-bromo-2-hydroxy-5-methylbenzaldehyde (CID 2757015) is 3-bromo-2-hydroxy-5-methylbenzaldehyde.
What is the SMILES notation for 3-bromo-2-hydroxy-5-methylbenzaldehyde?
The canonical SMILES for 3-bromo-2-hydroxy-5-methylbenzaldehyde is Cc1cc(Br)c(O)c(C=O)c1.
What is the InChIKey of 3-bromo-2-hydroxy-5-methylbenzaldehyde?
The InChIKey is LCZDQTSSLMAXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrO2/c1-5-2-6(4-10)8(11)7(9)3-5/h2-4,11H,1H3.
What are the key properties of 3-bromo-2-hydroxy-5-methylbenzaldehyde?
3-bromo-2-hydroxy-5-methylbenzaldehyde has a molecular weight of 215.05 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-hydroxy-5-methylbenzaldehyde is sourced from PubChem (CID 2757015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).