3-(3-bromo-2-hydroxy-5-methylphenyl)propanal

C10H11BrO2 — CID 166772839

IUPAC3-(3-bromo-2-hydroxy-5-methylphenyl)propanal
SMILESCc1cc(Br)c(O)c(CCC=O)c1
InChIInChI=1S/C10H11BrO2/c1-7-5-8(3-2-4-12)10(13)9(11)6-7/h4-6,13H,2-3H2,1H3
InChIKeyFELNRXMBVWIKIF-UHFFFAOYSA-N
MW243.10 g/mol
LogP2.59
Rot. Bonds3

About 3-(3-bromo-2-hydroxy-5-methylphenyl)propanal

3-(3-bromo-2-hydroxy-5-methylphenyl)propanal (PubChem CID 166772839) has the molecular formula C10H11BrO2 and a molecular weight of 243.10 g/mol. Its IUPAC name is 3-(3-bromo-2-hydroxy-5-methylphenyl)propanal.

Molecular Properties

Compound Name3-(3-bromo-2-hydroxy-5-methylphenyl)propanal
PubChem CID166772839
Molecular FormulaC10H11BrO2
Molecular Weight243.10 g/mol
Exact Mass241.99
IUPAC Name3-(3-bromo-2-hydroxy-5-methylphenyl)propanal
SMILESCc1cc(Br)c(O)c(CCC=O)c1
InChIInChI=1S/C10H11BrO2/c1-7-5-8(3-2-4-12)10(13)9(11)6-7/h4-6,13H,2-3H2,1H3
InChIKeyFELNRXMBVWIKIF-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
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

3-(3-bromo-2,5-dimethylphenyl)propanal
CID 117354306
3-(3-bromo-2-fluoro-5-methylphenyl)propanal
CID 117363986
2-bromo-6-[(3-bromo-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol
CID 23386525
3-(5-bromo-4-fluoro-2,3-dihydroxyphenyl)propanal
CID 117411632
2-bromo-6-[[3-[(3-bromo-2-hydroxy-5-methylphenyl)methylamino]propylamino]methyl]-4-methylphenol
CID 135362270
3-(2-hydroxy-4,5-dimethylphenyl)propanal
CID 117277791
3-(3-bromo-2-hydroxy-5-methylphenyl)-2-methylpropanoic acid
CID 83903983
3-(2-bromo-5-hydroxy-4-methoxyphenyl)propanal
CID 117400806
3-(5-tert-butyl-2-hydroxy-3-methoxyphenyl)propanal
CID 117345291
2-(3-amino-2-methylpropyl)-6-bromo-4-methylphenol
CID 83901631
3-(2-hydroxy-5-methoxy-4-methylphenyl)propanal
CID 117284468
3-(2,6-dibromo-4-methylphenyl)propanal;2-methoxy-2-methylpropane
CID 143664284

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-2-hydroxy-5-methylphenyl)propanal?
The IUPAC name of 3-(3-bromo-2-hydroxy-5-methylphenyl)propanal (CID 166772839) is 3-(3-bromo-2-hydroxy-5-methylphenyl)propanal.
What is the SMILES notation for 3-(3-bromo-2-hydroxy-5-methylphenyl)propanal?
The canonical SMILES for 3-(3-bromo-2-hydroxy-5-methylphenyl)propanal is Cc1cc(Br)c(O)c(CCC=O)c1.
What is the InChIKey of 3-(3-bromo-2-hydroxy-5-methylphenyl)propanal?
The InChIKey is FELNRXMBVWIKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO2/c1-7-5-8(3-2-4-12)10(13)9(11)6-7/h4-6,13H,2-3H2,1H3.
What are the key properties of 3-(3-bromo-2-hydroxy-5-methylphenyl)propanal?
3-(3-bromo-2-hydroxy-5-methylphenyl)propanal has a molecular weight of 243.10 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-2-hydroxy-5-methylphenyl)propanal is sourced from PubChem (CID 166772839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).