3-(4-bromophenyl)-2-hydroxy-2-methylpropanal

C10H11BrO2 — CID 66037437

IUPAC3-(4-bromophenyl)-2-hydroxy-2-methylpropanal
SMILESCC(O)(C=O)Cc1ccc(Br)cc1
InChIInChI=1S/C10H11BrO2/c1-10(13,7-12)6-8-2-4-9(11)5-3-8/h2-5,7,13H,6H2,1H3
InChIKeyNDDAUXKLRROZRM-UHFFFAOYSA-N
MW243.10 g/mol
LogP1.94
Rot. Bonds3

About 3-(4-bromophenyl)-2-hydroxy-2-methylpropanal

3-(4-bromophenyl)-2-hydroxy-2-methylpropanal (PubChem CID 66037437) has the molecular formula C10H11BrO2 and a molecular weight of 243.10 g/mol. Its IUPAC name is 3-(4-bromophenyl)-2-hydroxy-2-methylpropanal.

Molecular Properties

Compound Name3-(4-bromophenyl)-2-hydroxy-2-methylpropanal
PubChem CID66037437
Molecular FormulaC10H11BrO2
Molecular Weight243.10 g/mol
Exact Mass241.99
IUPAC Name3-(4-bromophenyl)-2-hydroxy-2-methylpropanal
SMILESCC(O)(C=O)Cc1ccc(Br)cc1
InChIInChI=1S/C10H11BrO2/c1-10(13,7-12)6-8-2-4-9(11)5-3-8/h2-5,7,13H,6H2,1H3
InChIKeyNDDAUXKLRROZRM-UHFFFAOYSA-N
XLogP1.94
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-3-[4-[2-(hydroxymethoxy)ethoxy]phenyl]-2-methylpropanal
CID 88614427
3-(3,4-dichlorophenyl)-2-hydroxy-2-methylpropanal
CID 66039817
3-(3,4-difluorophenyl)-2-hydroxy-2-methylpropanal
CID 82919795
4-(4-bromophenyl)-3-hydroxy-3-methylbutanoic acid
CID 82488625
2-[(4-bromophenyl)methyl]-2-methylbut-3-enoic acid
CID 102639410
2-(4-bromophenyl)-1-(3,4-dimethylphenyl)propan-2-ol
CID 63406671
diethyl 2-[1-(4-bromophenyl)-2-methylpropan-2-yl]propanedioate
CID 15711983
[1-(4-bromophenyl)-2-methylpropan-2-yl] acetate
CID 154708023
1-[4-[1-(4-bromophenyl)ethyl]phenyl]-2-methylpropan-2-ol
CID 90913483
2-(4-bromophenyl)-2-methylpropanal
CID 10013947
3-(4-bromophenyl)-2,2-dimethylpropan-1-amine
CID 56687188
2-(4-bromophenyl)-N-tert-butylacetamide
CID 3273942

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-2-hydroxy-2-methylpropanal?
The IUPAC name of 3-(4-bromophenyl)-2-hydroxy-2-methylpropanal (CID 66037437) is 3-(4-bromophenyl)-2-hydroxy-2-methylpropanal.
What is the SMILES notation for 3-(4-bromophenyl)-2-hydroxy-2-methylpropanal?
The canonical SMILES for 3-(4-bromophenyl)-2-hydroxy-2-methylpropanal is CC(O)(C=O)Cc1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)-2-hydroxy-2-methylpropanal?
The InChIKey is NDDAUXKLRROZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO2/c1-10(13,7-12)6-8-2-4-9(11)5-3-8/h2-5,7,13H,6H2,1H3.
What are the key properties of 3-(4-bromophenyl)-2-hydroxy-2-methylpropanal?
3-(4-bromophenyl)-2-hydroxy-2-methylpropanal has a molecular weight of 243.10 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-2-hydroxy-2-methylpropanal is sourced from PubChem (CID 66037437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).