2-(4-bromophenyl)-2-methylpropanal

C10H11BrO — CID 10013947

IUPAC2-(4-bromophenyl)-2-methylpropanal
SMILESCC(C)(C=O)c1ccc(Br)cc1
InChIInChI=1S/C10H11BrO/c1-10(2,7-12)8-3-5-9(11)6-4-8/h3-7H,1-2H3
InChIKeyWDCNOQSTJRGLOG-UHFFFAOYSA-N
MW227.10 g/mol
LogP2.93
Rot. Bonds2

About 2-(4-bromophenyl)-2-methylpropanal

2-(4-bromophenyl)-2-methylpropanal (PubChem CID 10013947) has the molecular formula C10H11BrO and a molecular weight of 227.10 g/mol. Its IUPAC name is 2-(4-bromophenyl)-2-methylpropanal.

Molecular Properties

Compound Name2-(4-bromophenyl)-2-methylpropanal
PubChem CID10013947
Molecular FormulaC10H11BrO
Molecular Weight227.10 g/mol
Exact Mass226.00
IUPAC Name2-(4-bromophenyl)-2-methylpropanal
SMILESCC(C)(C=O)c1ccc(Br)cc1
InChIInChI=1S/C10H11BrO/c1-10(2,7-12)8-3-5-9(11)6-4-8/h3-7H,1-2H3
InChIKeyWDCNOQSTJRGLOG-UHFFFAOYSA-N
XLogP2.93
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.10
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(dimethylamino)phenyl]-2-methylpropanal
CID 83684941
2-(3-bromo-5-chlorophenyl)-2-methylpropanal
CID 164562672
2-(4-bromophenyl)-2-ethylbutanal
CID 86672302
(2R,3R)-2,3-bis(4-bromophenyl)butane-2,3-diol
CID 100920235
2-(4-bromophenyl)propane-2-thiol
CID 21489042
2-(3,4-dimethylphenyl)-2-methylpropanal
CID 59042198
2-[4-bromo-2-(methylamino)phenyl]-2-methylpropanal
CID 143821318
2-(4-bromophenyl)propan-2-amine;hydroiodide
CID 163210830
3-(4-bromophenyl)-2-hydroxy-2-methylpropanal
CID 66037437
1-bromo-4-(1,1-dimethoxyethyl)benzene
CID 10911782
1-(4-bromophenyl)-1-dimethylphosphorylethanol
CID 171643720
2-(4-fluoro-3-methylphenyl)-2-methylpropanal
CID 83683621

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-2-methylpropanal?
The IUPAC name of 2-(4-bromophenyl)-2-methylpropanal (CID 10013947) is 2-(4-bromophenyl)-2-methylpropanal.
What is the SMILES notation for 2-(4-bromophenyl)-2-methylpropanal?
The canonical SMILES for 2-(4-bromophenyl)-2-methylpropanal is CC(C)(C=O)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-2-methylpropanal?
The InChIKey is WDCNOQSTJRGLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO/c1-10(2,7-12)8-3-5-9(11)6-4-8/h3-7H,1-2H3.
What are the key properties of 2-(4-bromophenyl)-2-methylpropanal?
2-(4-bromophenyl)-2-methylpropanal has a molecular weight of 227.10 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-2-methylpropanal is sourced from PubChem (CID 10013947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).