4-benzoylphthalaldehyde

C15H10O3 — CID 175060465

IUPAC4-benzoylphthalaldehyde
SMILESO=Cc1ccc(C(=O)c2ccccc2)cc1C=O
InChIInChI=1S/C15H10O3/c16-9-13-7-6-12(8-14(13)10-17)15(18)11-4-2-1-3-5-11/h1-10H
InChIKeySGFNNXSAUXAXHY-UHFFFAOYSA-N
MW238.24 g/mol
LogP2.54
Rot. Bonds4

About 4-benzoylphthalaldehyde

4-benzoylphthalaldehyde (PubChem CID 175060465) has the molecular formula C15H10O3 and a molecular weight of 238.24 g/mol. Its IUPAC name is 4-benzoylphthalaldehyde.

Molecular Properties

Compound Name4-benzoylphthalaldehyde
PubChem CID175060465
Molecular FormulaC15H10O3
Molecular Weight238.24 g/mol
Exact Mass238.06
IUPAC Name4-benzoylphthalaldehyde
SMILESO=Cc1ccc(C(=O)c2ccccc2)cc1C=O
InChIInChI=1S/C15H10O3/c16-9-13-7-6-12(8-14(13)10-17)15(18)11-4-2-1-3-5-11/h1-10H
InChIKeySGFNNXSAUXAXHY-UHFFFAOYSA-N
XLogP2.54
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-benzoylbenzaldehyde
CID 58625138
disodium;diphenylmethanone
CID 19380838
diphenylmethanone
CID 3102
6-benzoylnaphthalene-2-carbaldehyde
CID 160521224
cobalt(2+);diphenylmethanone
CID 19033779
diphenylmethanone;gold
CID 174931146
bis(diphenylmethanone);dihydrochloride
CID 69107757
(3-benzoylphenyl)-phenylmethanone;ethane
CID 145125865
naphthalen-2-yl(phenyl)(113C)methanone
CID 101359138
[3-(4-phenylbenzoyl)phenyl]-(4-phenylphenyl)methanone
CID 19009361
4-propanoylphthalaldehyde
CID 118847024
5-(4-chlorobenzoyl)-2-hydroxybenzaldehyde
CID 100926056

Frequently Asked Questions

What is the IUPAC name of 4-benzoylphthalaldehyde?
The IUPAC name of 4-benzoylphthalaldehyde (CID 175060465) is 4-benzoylphthalaldehyde.
What is the SMILES notation for 4-benzoylphthalaldehyde?
The canonical SMILES for 4-benzoylphthalaldehyde is O=Cc1ccc(C(=O)c2ccccc2)cc1C=O.
What is the InChIKey of 4-benzoylphthalaldehyde?
The InChIKey is SGFNNXSAUXAXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O3/c16-9-13-7-6-12(8-14(13)10-17)15(18)11-4-2-1-3-5-11/h1-10H.
What are the key properties of 4-benzoylphthalaldehyde?
4-benzoylphthalaldehyde has a molecular weight of 238.24 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoylphthalaldehyde is sourced from PubChem (CID 175060465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).