2-(dibromomethyl)benzaldehyde

C8H6Br2O — CID 15212101

IUPAC2-(dibromomethyl)benzaldehyde
SMILESO=Cc1ccccc1C(Br)Br
InChIInChI=1S/C8H6Br2O/c9-8(10)7-4-2-1-3-6(7)5-11/h1-5,8H
InChIKeyDOMIZWGSHFPKIQ-UHFFFAOYSA-N
MW277.94 g/mol
LogP3.29
Rot. Bonds2

About 2-(dibromomethyl)benzaldehyde

2-(dibromomethyl)benzaldehyde (PubChem CID 15212101) has the molecular formula C8H6Br2O and a molecular weight of 277.94 g/mol. Its IUPAC name is 2-(dibromomethyl)benzaldehyde.

Molecular Properties

Compound Name2-(dibromomethyl)benzaldehyde
PubChem CID15212101
Molecular FormulaC8H6Br2O
Molecular Weight277.94 g/mol
Exact Mass275.88
IUPAC Name2-(dibromomethyl)benzaldehyde
SMILESO=Cc1ccccc1C(Br)Br
InChIInChI=1S/C8H6Br2O/c9-8(10)7-4-2-1-3-6(7)5-11/h1-5,8H
InChIKeyDOMIZWGSHFPKIQ-UHFFFAOYSA-N
XLogP3.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.94
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(dibromomethyl)benzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,4-dimethylpentan-3-yl)benzaldehyde
CID 21290471
2-(1-hydroxypropyl)benzaldehyde
CID 22057055
2-(2-formylphenyl)-2-hydroxyacetamide
CID 54502369
2-[cyclopropyl(fluoro)methyl]benzaldehyde
CID 115015123
2-[1-(2-bromophenoxy)ethyl]benzaldehyde
CID 175163460
2-[bis(1H-indol-3-yl)methyl]benzaldehyde
CID 100950087
sodium (2-formylphenyl)-hydroxymethanesulfonate
CID 20781442
2-[2-(oxo(113C)methyl)phenyl](13C2)benzaldehyde
CID 169434237
CID 166529225
CID 166529225
2-(1,2-dimethoxyethyl)benzaldehyde
CID 117275927
2-(2-hydroxy-2-methyl-1-phenylpropyl)benzaldehyde
CID 174744988
CID 158421076
CID 158421076

Frequently Asked Questions

What is the IUPAC name of 2-(dibromomethyl)benzaldehyde?
The IUPAC name of 2-(dibromomethyl)benzaldehyde (CID 15212101) is 2-(dibromomethyl)benzaldehyde.
What is the SMILES notation for 2-(dibromomethyl)benzaldehyde?
The canonical SMILES for 2-(dibromomethyl)benzaldehyde is O=Cc1ccccc1C(Br)Br.
What is the InChIKey of 2-(dibromomethyl)benzaldehyde?
The InChIKey is DOMIZWGSHFPKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Br2O/c9-8(10)7-4-2-1-3-6(7)5-11/h1-5,8H.
What are the key properties of 2-(dibromomethyl)benzaldehyde?
2-(dibromomethyl)benzaldehyde has a molecular weight of 277.94 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibromomethyl)benzaldehyde is sourced from PubChem (CID 15212101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).