5-(3-acetylphenyl)-2-hydroxybenzaldehyde

C15H12O3 — CID 53220389

IUPAC5-(3-acetylphenyl)-2-hydroxybenzaldehyde
SMILESCC(=O)c1cccc(-c2ccc(O)c(C=O)c2)c1
InChIInChI=1S/C15H12O3/c1-10(17)11-3-2-4-12(7-11)13-5-6-15(18)14(8-13)9-16/h2-9,18H,1H3
InChIKeySIUXQJHACIIVMO-UHFFFAOYSA-N
MW240.26 g/mol
LogP3.07
Rot. Bonds3

About 5-(3-acetylphenyl)-2-hydroxybenzaldehyde

5-(3-acetylphenyl)-2-hydroxybenzaldehyde (PubChem CID 53220389) has the molecular formula C15H12O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 5-(3-acetylphenyl)-2-hydroxybenzaldehyde.

Molecular Properties

Compound Name5-(3-acetylphenyl)-2-hydroxybenzaldehyde
PubChem CID53220389
Molecular FormulaC15H12O3
Molecular Weight240.26 g/mol
Exact Mass240.08
IUPAC Name5-(3-acetylphenyl)-2-hydroxybenzaldehyde
SMILESCC(=O)c1cccc(-c2ccc(O)c(C=O)c2)c1
InChIInChI=1S/C15H12O3/c1-10(17)11-3-2-4-12(7-11)13-5-6-15(18)14(8-13)9-16/h2-9,18H,1H3
InChIKeySIUXQJHACIIVMO-UHFFFAOYSA-N
XLogP3.07
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(3-acetylphenyl)-2-hydroxynaphthalene-1-carbaldehyde
CID 126763631
1-[3-(4-fluoro-3-hydroxyphenyl)phenyl]ethanone
CID 53219389
N-[4-(3-formyl-4-hydroxyphenyl)phenyl]acetamide
CID 122358590
1-[3-(4-hydroxy-3-nitrophenyl)phenyl]ethanone
CID 53221641
1-[3-(3-chlorophenyl)phenyl]ethanone
CID 4304570
1-[3-(4-propan-2-ylphenyl)phenyl]ethanone
CID 61034135
5-(2,6-difluorophenyl)-2-hydroxybenzaldehyde
CID 53220383
5-(2,6-dichlorophenyl)-2-hydroxybenzaldehyde
CID 122358686
3-(3-acetyl-4-hydroxyphenyl)benzaldehyde
CID 23004902
2-hydroxy-5-[1,2,2-tris(3-formyl-4-hydroxyphenyl)ethenyl]benzaldehyde
CID 146013313
4-(3-acetylphenyl)benzenediazonium
CID 175218117
1-[3-(3-hydroxy-5-methylphenyl)phenyl]ethanone
CID 53218902

Frequently Asked Questions

What is the IUPAC name of 5-(3-acetylphenyl)-2-hydroxybenzaldehyde?
The IUPAC name of 5-(3-acetylphenyl)-2-hydroxybenzaldehyde (CID 53220389) is 5-(3-acetylphenyl)-2-hydroxybenzaldehyde.
What is the SMILES notation for 5-(3-acetylphenyl)-2-hydroxybenzaldehyde?
The canonical SMILES for 5-(3-acetylphenyl)-2-hydroxybenzaldehyde is CC(=O)c1cccc(-c2ccc(O)c(C=O)c2)c1.
What is the InChIKey of 5-(3-acetylphenyl)-2-hydroxybenzaldehyde?
The InChIKey is SIUXQJHACIIVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O3/c1-10(17)11-3-2-4-12(7-11)13-5-6-15(18)14(8-13)9-16/h2-9,18H,1H3.
What are the key properties of 5-(3-acetylphenyl)-2-hydroxybenzaldehyde?
5-(3-acetylphenyl)-2-hydroxybenzaldehyde has a molecular weight of 240.26 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-acetylphenyl)-2-hydroxybenzaldehyde is sourced from PubChem (CID 53220389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).