3-(3-acetyl-4-hydroxyphenyl)benzaldehyde

C15H12O3 — CID 23004902

IUPAC3-(3-acetyl-4-hydroxyphenyl)benzaldehyde
SMILESCC(=O)c1cc(-c2cccc(C=O)c2)ccc1O
InChIInChI=1S/C15H12O3/c1-10(17)14-8-13(5-6-15(14)18)12-4-2-3-11(7-12)9-16/h2-9,18H,1H3
InChIKeyBMQCRVJJEOENCQ-UHFFFAOYSA-N
MW240.26 g/mol
LogP3.07
Rot. Bonds3

About 3-(3-acetyl-4-hydroxyphenyl)benzaldehyde

3-(3-acetyl-4-hydroxyphenyl)benzaldehyde (PubChem CID 23004902) has the molecular formula C15H12O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 3-(3-acetyl-4-hydroxyphenyl)benzaldehyde.

Molecular Properties

Compound Name3-(3-acetyl-4-hydroxyphenyl)benzaldehyde
PubChem CID23004902
Molecular FormulaC15H12O3
Molecular Weight240.26 g/mol
Exact Mass240.08
IUPAC Name3-(3-acetyl-4-hydroxyphenyl)benzaldehyde
SMILESCC(=O)c1cc(-c2cccc(C=O)c2)ccc1O
InChIInChI=1S/C15H12O3/c1-10(17)14-8-13(5-6-15(14)18)12-4-2-3-11(7-12)9-16/h2-9,18H,1H3
InChIKeyBMQCRVJJEOENCQ-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

methyl 5-(3-formylphenyl)-2-hydroxybenzoate
CID 5105759
1-(2-hydroxy-5-pyridin-3-ylphenyl)ethanone
CID 148842399
3-(3-hydroxy-4-methoxyphenyl)benzaldehyde
CID 53220736
3-(4-hydroxy-3-nitrophenyl)benzaldehyde
CID 53221609
3-(2-hydroxy-5-methylphenyl)benzaldehyde
CID 82039069
5-(3-acetylphenyl)-2-hydroxybenzaldehyde
CID 53220389
1-[2-hydroxy-5-(3-phenylmethoxyphenyl)phenyl]ethanone
CID 23004910
[4-(3-formylphenyl)phenyl]boronic acid
CID 23005401
4-acetyl-3-hydroxybenzaldehyde;2-hydroxybenzaldehyde;3-hydroxybenzaldehyde
CID 160602944
3-(3,4-diaminophenyl)benzaldehyde
CID 154095647
1-[2-hydroxy-5-(2-methoxyphenyl)phenyl]ethanone
CID 23004893
5-(3-acetamidophenyl)-2-hydroxybenzoic acid
CID 10978560

Frequently Asked Questions

What is the IUPAC name of 3-(3-acetyl-4-hydroxyphenyl)benzaldehyde?
The IUPAC name of 3-(3-acetyl-4-hydroxyphenyl)benzaldehyde (CID 23004902) is 3-(3-acetyl-4-hydroxyphenyl)benzaldehyde.
What is the SMILES notation for 3-(3-acetyl-4-hydroxyphenyl)benzaldehyde?
The canonical SMILES for 3-(3-acetyl-4-hydroxyphenyl)benzaldehyde is CC(=O)c1cc(-c2cccc(C=O)c2)ccc1O.
What is the InChIKey of 3-(3-acetyl-4-hydroxyphenyl)benzaldehyde?
The InChIKey is BMQCRVJJEOENCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O3/c1-10(17)14-8-13(5-6-15(14)18)12-4-2-3-11(7-12)9-16/h2-9,18H,1H3.
What are the key properties of 3-(3-acetyl-4-hydroxyphenyl)benzaldehyde?
3-(3-acetyl-4-hydroxyphenyl)benzaldehyde 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 3-(3-acetyl-4-hydroxyphenyl)benzaldehyde is sourced from PubChem (CID 23004902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).