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

C9H9BrO2 — CID 83893529

IUPAC2-(5-bromo-2-hydroxy-3-methylphenyl)acetaldehyde
SMILESCc1cc(Br)cc(CC=O)c1O
InChIInChI=1S/C9H9BrO2/c1-6-4-8(10)5-7(2-3-11)9(6)12/h3-5,12H,2H2,1H3
InChIKeyHHNNNGUGXRVOKE-UHFFFAOYSA-N
MW229.07 g/mol
LogP2.20
Rot. Bonds2

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

2-(5-bromo-2-hydroxy-3-methylphenyl)acetaldehyde (PubChem CID 83893529) has the molecular formula C9H9BrO2 and a molecular weight of 229.07 g/mol. Its IUPAC name is 2-(5-bromo-2-hydroxy-3-methylphenyl)acetaldehyde.

Molecular Properties

Compound Name2-(5-bromo-2-hydroxy-3-methylphenyl)acetaldehyde
PubChem CID83893529
Molecular FormulaC9H9BrO2
Molecular Weight229.07 g/mol
Exact Mass227.98
IUPAC Name2-(5-bromo-2-hydroxy-3-methylphenyl)acetaldehyde
SMILESCc1cc(Br)cc(CC=O)c1O
InChIInChI=1S/C9H9BrO2/c1-6-4-8(10)5-7(2-3-11)9(6)12/h3-5,12H,2H2,1H3
InChIKeyHHNNNGUGXRVOKE-UHFFFAOYSA-N
XLogP2.20
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.07
LogP ≤ 52.20
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-(5-fluoro-2-hydroxy-3-methylphenyl)acetaldehyde
CID 83873729
4-bromo-2-(ethylaminomethyl)-6-methylphenol
CID 112553820
5-bromo-2-hydroxy-3-methylbenzaldehyde
CID 2757016
4-bromo-2-methyl-6-[(propan-2-ylamino)methyl]phenol
CID 112554002
2-[(1-aminocyclopropyl)methyl]-4-bromo-6-methylphenol
CID 117393315
2-[(5-bromo-2-hydroxy-3-methylphenyl)methylamino]propane-1,3-diol
CID 115907842
4-hydroxy-3-methyl-5-prop-2-enylbenzaldehyde
CID 59720398
3-(5-bromo-2-fluoro-3-methylphenyl)propanal
CID 117363991
2-(3-bromo-4,5-difluoro-2-hydroxyphenyl)acetaldehyde
CID 83900436
4-bromo-2-[(4-ethylpiperazin-1-yl)methyl]-6-methylphenol
CID 112553312
4-bromo-2-methyl-6-[[methyl(2-methylbutan-2-yl)amino]methyl]phenol
CID 112621866
2-[2,5-dihydroxy-4-(2-oxoethyl)phenyl]acetaldehyde
CID 166062863

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-hydroxy-3-methylphenyl)acetaldehyde?
The IUPAC name of 2-(5-bromo-2-hydroxy-3-methylphenyl)acetaldehyde (CID 83893529) is 2-(5-bromo-2-hydroxy-3-methylphenyl)acetaldehyde.
What is the SMILES notation for 2-(5-bromo-2-hydroxy-3-methylphenyl)acetaldehyde?
The canonical SMILES for 2-(5-bromo-2-hydroxy-3-methylphenyl)acetaldehyde is Cc1cc(Br)cc(CC=O)c1O.
What is the InChIKey of 2-(5-bromo-2-hydroxy-3-methylphenyl)acetaldehyde?
The InChIKey is HHNNNGUGXRVOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrO2/c1-6-4-8(10)5-7(2-3-11)9(6)12/h3-5,12H,2H2,1H3.
What are the key properties of 2-(5-bromo-2-hydroxy-3-methylphenyl)acetaldehyde?
2-(5-bromo-2-hydroxy-3-methylphenyl)acetaldehyde has a molecular weight of 229.07 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-hydroxy-3-methylphenyl)acetaldehyde is sourced from PubChem (CID 83893529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).