methyl 5-(3-formylphenyl)-2-hydroxybenzoate

C15H12O4 — CID 5105759

IUPACmethyl 5-(3-formylphenyl)-2-hydroxybenzoate
SMILESCOC(=O)c1cc(-c2cccc(C=O)c2)ccc1O
InChIInChI=1S/C15H12O4/c1-19-15(18)13-8-12(5-6-14(13)17)11-4-2-3-10(7-11)9-16/h2-9,17H,1H3
InChIKeyWXYMLMLGINLBAY-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.66
Rot. Bonds3

About methyl 5-(3-formylphenyl)-2-hydroxybenzoate

methyl 5-(3-formylphenyl)-2-hydroxybenzoate (PubChem CID 5105759) has the molecular formula C15H12O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is methyl 5-(3-formylphenyl)-2-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 5-(3-formylphenyl)-2-hydroxybenzoate
PubChem CID5105759
Molecular FormulaC15H12O4
Molecular Weight256.26 g/mol
Exact Mass256.07
IUPAC Namemethyl 5-(3-formylphenyl)-2-hydroxybenzoate
SMILESCOC(=O)c1cc(-c2cccc(C=O)c2)ccc1O
InChIInChI=1S/C15H12O4/c1-19-15(18)13-8-12(5-6-14(13)17)11-4-2-3-10(7-11)9-16/h2-9,17H,1H3
InChIKeyWXYMLMLGINLBAY-UHFFFAOYSA-N
XLogP2.66
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-acetyl-4-hydroxyphenyl)benzaldehyde
CID 23004902
3-(3-hydroxy-4-methoxyphenyl)benzaldehyde
CID 53220736
methyl 3-[4-(3-formylphenyl)phenyl]propanoate
CID 88941399
methyl 2-[2-fluoro-5-(3-formylphenyl)phenyl]acetate
CID 176548334
dimethyl 4-(3-methoxycarbonylphenyl)benzene-1,2-dicarboxylate
CID 11404679
3-(4-hydroxy-3-nitrophenyl)benzaldehyde
CID 53221609
3-hydroxybenzaldehyde;methoxymethane
CID 163225851
3-(2-hydroxy-5-methylphenyl)benzaldehyde
CID 82039069
methyl 2-(3-formylphenyl)sulfanylbenzoate
CID 139661372
tert-butyl 3-(3-formylphenyl)benzoate
CID 155970467
dimethyl 4-hydroxybenzene-1,3-dicarboxylate;ethane
CID 143860036
methyl 2,5-dihydroxy-4-phenylbenzoate
CID 166444407

Frequently Asked Questions

What is the IUPAC name of methyl 5-(3-formylphenyl)-2-hydroxybenzoate?
The IUPAC name of methyl 5-(3-formylphenyl)-2-hydroxybenzoate (CID 5105759) is methyl 5-(3-formylphenyl)-2-hydroxybenzoate.
What is the SMILES notation for methyl 5-(3-formylphenyl)-2-hydroxybenzoate?
The canonical SMILES for methyl 5-(3-formylphenyl)-2-hydroxybenzoate is COC(=O)c1cc(-c2cccc(C=O)c2)ccc1O.
What is the InChIKey of methyl 5-(3-formylphenyl)-2-hydroxybenzoate?
The InChIKey is WXYMLMLGINLBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O4/c1-19-15(18)13-8-12(5-6-14(13)17)11-4-2-3-10(7-11)9-16/h2-9,17H,1H3.
What are the key properties of methyl 5-(3-formylphenyl)-2-hydroxybenzoate?
methyl 5-(3-formylphenyl)-2-hydroxybenzoate has a molecular weight of 256.26 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(3-formylphenyl)-2-hydroxybenzoate is sourced from PubChem (CID 5105759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).