2-(4-benzoylphenoxy)acetaldehyde

C15H12O3 — CID 62028951

IUPAC2-(4-benzoylphenoxy)acetaldehyde
SMILESO=CCOc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C15H12O3/c16-10-11-18-14-8-6-13(7-9-14)15(17)12-4-2-1-3-5-12/h1-10H,11H2
InChIKeyFOQUMZNBRQDTDS-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.50
Rot. Bonds5

About 2-(4-benzoylphenoxy)acetaldehyde

2-(4-benzoylphenoxy)acetaldehyde (PubChem CID 62028951) has the molecular formula C15H12O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-(4-benzoylphenoxy)acetaldehyde.

Molecular Properties

Compound Name2-(4-benzoylphenoxy)acetaldehyde
PubChem CID62028951
Molecular FormulaC15H12O3
Molecular Weight240.26 g/mol
Exact Mass240.08
IUPAC Name2-(4-benzoylphenoxy)acetaldehyde
SMILESO=CCOc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C15H12O3/c16-10-11-18-14-8-6-13(7-9-14)15(17)12-4-2-1-3-5-12/h1-10H,11H2
InChIKeyFOQUMZNBRQDTDS-UHFFFAOYSA-N
XLogP2.50
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.50
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

[4-[8-(4-benzoylphenoxy)octoxy]phenyl]-phenylmethanone
CID 134886756
4-(2-oxoethoxy)benzamide
CID 54336602
ethenyl 2-(4-benzoylphenoxy)acetate
CID 154092320
ethyl 2-[4-[4-(2-oxoethoxy)benzoyl]phenoxy]acetate
CID 118085162
[4-[4-(4-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 14669951
[4-[2-(4-bromophenoxy)ethoxy]phenyl]-phenylmethanone
CID 7717760
[4-(2-aminooxyethoxy)phenyl]-phenylmethanone
CID 122389379
[4-(phenoxymethyl)phenyl]-phenylmethanone
CID 1262878
diphenylmethanone;propanal
CID 159329764
CID 157442056
CID 157442056
[4-[[3,5-bis[(4-benzoylphenoxy)methyl]-2,4,6-trimethylphenyl]methoxy]phenyl]-phenylmethanone
CID 101243710
[4-[1-[4-(2-oxoethoxy)phenyl]-2-phenylbut-1-enyl]phenyl] 2,2-dimethylpropanoate
CID 123914340

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylphenoxy)acetaldehyde?
The IUPAC name of 2-(4-benzoylphenoxy)acetaldehyde (CID 62028951) is 2-(4-benzoylphenoxy)acetaldehyde.
What is the SMILES notation for 2-(4-benzoylphenoxy)acetaldehyde?
The canonical SMILES for 2-(4-benzoylphenoxy)acetaldehyde is O=CCOc1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of 2-(4-benzoylphenoxy)acetaldehyde?
The InChIKey is FOQUMZNBRQDTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O3/c16-10-11-18-14-8-6-13(7-9-14)15(17)12-4-2-1-3-5-12/h1-10H,11H2.
What are the key properties of 2-(4-benzoylphenoxy)acetaldehyde?
2-(4-benzoylphenoxy)acetaldehyde has a molecular weight of 240.26 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylphenoxy)acetaldehyde is sourced from PubChem (CID 62028951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).