2-phenylethyl 2-(2-formylphenyl)acetate

C17H16O3 — CID 169081961

IUPAC2-phenylethyl 2-(2-formylphenyl)acetate
SMILESO=Cc1ccccc1CC(=O)OCCc1ccccc1
InChIInChI=1S/C17H16O3/c18-13-16-9-5-4-8-15(16)12-17(19)20-11-10-14-6-2-1-3-7-14/h1-9,13H,10-12H2
InChIKeyOWZJELKSLNREBK-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.83
Rot. Bonds6

About 2-phenylethyl 2-(2-formylphenyl)acetate

2-phenylethyl 2-(2-formylphenyl)acetate (PubChem CID 169081961) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is 2-phenylethyl 2-(2-formylphenyl)acetate.

Molecular Properties

Compound Name2-phenylethyl 2-(2-formylphenyl)acetate
PubChem CID169081961
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name2-phenylethyl 2-(2-formylphenyl)acetate
SMILESO=Cc1ccccc1CC(=O)OCCc1ccccc1
InChIInChI=1S/C17H16O3/c18-13-16-9-5-4-8-15(16)12-17(19)20-11-10-14-6-2-1-3-7-14/h1-9,13H,10-12H2
InChIKeyOWZJELKSLNREBK-UHFFFAOYSA-N
XLogP2.83
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-phenylethyl 2-(2-formylphenyl)acetate?
The IUPAC name of 2-phenylethyl 2-(2-formylphenyl)acetate (CID 169081961) is 2-phenylethyl 2-(2-formylphenyl)acetate.
What is the SMILES notation for 2-phenylethyl 2-(2-formylphenyl)acetate?
The canonical SMILES for 2-phenylethyl 2-(2-formylphenyl)acetate is O=Cc1ccccc1CC(=O)OCCc1ccccc1.
What is the InChIKey of 2-phenylethyl 2-(2-formylphenyl)acetate?
The InChIKey is OWZJELKSLNREBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3/c18-13-16-9-5-4-8-15(16)12-17(19)20-11-10-14-6-2-1-3-7-14/h1-9,13H,10-12H2.
What are the key properties of 2-phenylethyl 2-(2-formylphenyl)acetate?
2-phenylethyl 2-(2-formylphenyl)acetate has a molecular weight of 268.31 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethyl 2-(2-formylphenyl)acetate is sourced from PubChem (CID 169081961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).