[3-(4-formylphenyl)phenyl] acetate

C15H12O3 — CID 86180211

IUPAC[3-(4-formylphenyl)phenyl] acetate
SMILESCC(=O)Oc1cccc(-c2ccc(C=O)cc2)c1
InChIInChI=1S/C15H12O3/c1-11(17)18-15-4-2-3-14(9-15)13-7-5-12(10-16)6-8-13/h2-10H,1H3
InChIKeyRTNUYWLBJFJFGJ-UHFFFAOYSA-N
MW240.26 g/mol
LogP3.09
Rot. Bonds3

About [3-(4-formylphenyl)phenyl] acetate

[3-(4-formylphenyl)phenyl] acetate (PubChem CID 86180211) has the molecular formula C15H12O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is [3-(4-formylphenyl)phenyl] acetate.

Molecular Properties

Compound Name[3-(4-formylphenyl)phenyl] acetate
PubChem CID86180211
Molecular FormulaC15H12O3
Molecular Weight240.26 g/mol
Exact Mass240.08
IUPAC Name[3-(4-formylphenyl)phenyl] acetate
SMILESCC(=O)Oc1cccc(-c2ccc(C=O)cc2)c1
InChIInChI=1S/C15H12O3/c1-11(17)18-15-4-2-3-14(9-15)13-7-5-12(10-16)6-8-13/h2-10H,1H3
InChIKeyRTNUYWLBJFJFGJ-UHFFFAOYSA-N
XLogP3.09
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [3-(4-formylphenyl)phenyl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(4-formylphenyl)phenyl] acetate?
The IUPAC name of [3-(4-formylphenyl)phenyl] acetate (CID 86180211) is [3-(4-formylphenyl)phenyl] acetate.
What is the SMILES notation for [3-(4-formylphenyl)phenyl] acetate?
The canonical SMILES for [3-(4-formylphenyl)phenyl] acetate is CC(=O)Oc1cccc(-c2ccc(C=O)cc2)c1.
What is the InChIKey of [3-(4-formylphenyl)phenyl] acetate?
The InChIKey is RTNUYWLBJFJFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O3/c1-11(17)18-15-4-2-3-14(9-15)13-7-5-12(10-16)6-8-13/h2-10H,1H3.
What are the key properties of [3-(4-formylphenyl)phenyl] acetate?
[3-(4-formylphenyl)phenyl] acetate has a molecular weight of 240.26 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-formylphenyl)phenyl] acetate is sourced from PubChem (CID 86180211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).