acetic acid;4-hydroxy-2-iodobenzaldehyde

C9H9IO4 — CID 175606546

IUPACacetic acid;4-hydroxy-2-iodobenzaldehyde
SMILESCC(=O)O.O=Cc1ccc(O)cc1I
InChIInChI=1S/C7H5IO2.C2H4O2/c8-7-3-6(10)2-1-5(7)4-9;1-2(3)4/h1-4,10H;1H3,(H,3,4)
InChIKeyBLRORVNMLCSQAU-UHFFFAOYSA-N
MW308.07 g/mol
LogP1.90
Rot. Bonds1

About acetic acid;4-hydroxy-2-iodobenzaldehyde

acetic acid;4-hydroxy-2-iodobenzaldehyde (PubChem CID 175606546) has the molecular formula C9H9IO4 and a molecular weight of 308.07 g/mol. Its IUPAC name is acetic acid;4-hydroxy-2-iodobenzaldehyde.

Molecular Properties

Compound Nameacetic acid;4-hydroxy-2-iodobenzaldehyde
PubChem CID175606546
Molecular FormulaC9H9IO4
Molecular Weight308.07 g/mol
Exact Mass307.95
IUPAC Nameacetic acid;4-hydroxy-2-iodobenzaldehyde
SMILESCC(=O)O.O=Cc1ccc(O)cc1I
InChIInChI=1S/C7H5IO2.C2H4O2/c8-7-3-6(10)2-1-5(7)4-9;1-2(3)4/h1-4,10H;1H3,(H,3,4)
InChIKeyBLRORVNMLCSQAU-UHFFFAOYSA-N
XLogP1.90
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.07
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;4-hydroxyphthalaldehyde
CID 90973394
methyl 4-formyl-3-iodobenzoate
CID 131403378
acetic acid;4-hydroxybenzaldehyde
CID 86610069
acetic acid;(4-formyl-3-hydroxyphenyl) acetate
CID 87581863
2-iodo-4-(methylamino)benzaldehyde
CID 90365736
3-(2-formyl-5-hydroxyphenyl)propanoic acid
CID 117284284
4-hydroxy-2-(2-hydroxypropan-2-yl)benzaldehyde
CID 117278276
1-(2-formyl-5-hydroxyphenyl)cyclopropane-1-carboxylic acid
CID 117294459
(E)-3-(2,4-dihydroxyphenyl)-2-methylprop-2-enoic acid
CID 18785337
acetic acid;3-(4-tert-butylphenyl)-4-iodophenol
CID 173025845
4-(3-chloropropanoyl)-2-iodobenzaldehyde
CID 118812658
acetic acid;benzene-1,3,5-triol
CID 53443381

Frequently Asked Questions

What is the IUPAC name of acetic acid;4-hydroxy-2-iodobenzaldehyde?
The IUPAC name of acetic acid;4-hydroxy-2-iodobenzaldehyde (CID 175606546) is acetic acid;4-hydroxy-2-iodobenzaldehyde.
What is the SMILES notation for acetic acid;4-hydroxy-2-iodobenzaldehyde?
The canonical SMILES for acetic acid;4-hydroxy-2-iodobenzaldehyde is CC(=O)O.O=Cc1ccc(O)cc1I.
What is the InChIKey of acetic acid;4-hydroxy-2-iodobenzaldehyde?
The InChIKey is BLRORVNMLCSQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5IO2.C2H4O2/c8-7-3-6(10)2-1-5(7)4-9;1-2(3)4/h1-4,10H;1H3,(H,3,4).
What are the key properties of acetic acid;4-hydroxy-2-iodobenzaldehyde?
acetic acid;4-hydroxy-2-iodobenzaldehyde has a molecular weight of 308.07 g/mol, XLogP of 1.90, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;4-hydroxy-2-iodobenzaldehyde is sourced from PubChem (CID 175606546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).