methyl 2-(2-formylphenoxy)-2-phenylacetate

C16H14O4 — CID 87797080

IUPACmethyl 2-(2-formylphenoxy)-2-phenylacetate
SMILESCOC(=O)C(Oc1ccccc1C=O)c1ccccc1
InChIInChI=1S/C16H14O4/c1-19-16(18)15(12-7-3-2-4-8-12)20-14-10-6-5-9-13(14)11-17/h2-11,15H,1H3
InChIKeyBBWUKWVCAOIYPB-UHFFFAOYSA-N
MW270.28 g/mol
LogP2.79
Rot. Bonds5

About methyl 2-(2-formylphenoxy)-2-phenylacetate

methyl 2-(2-formylphenoxy)-2-phenylacetate (PubChem CID 87797080) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is methyl 2-(2-formylphenoxy)-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-(2-formylphenoxy)-2-phenylacetate
PubChem CID87797080
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Namemethyl 2-(2-formylphenoxy)-2-phenylacetate
SMILESCOC(=O)C(Oc1ccccc1C=O)c1ccccc1
InChIInChI=1S/C16H14O4/c1-19-16(18)15(12-7-3-2-4-8-12)20-14-10-6-5-9-13(14)11-17/h2-11,15H,1H3
InChIKeyBBWUKWVCAOIYPB-UHFFFAOYSA-N
XLogP2.79
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(2-formylphenoxy)-2-phenylacetate
CID 15741875
methyl 2-(2-chlorophenoxy)-2-phenylacetate
CID 102391876
[(1R)-2-methoxy-2-oxo-1-phenylethyl] benzoate
CID 11747638
methyl (2R)-2-[(1S)-2-oxo-1-phenylethoxy]-2-phenylacetate
CID 11108847
2-(3-oxobutan-2-yloxy)benzaldehyde
CID 23468859
methyl 2-phenyl-2-propan-2-yloxyacetate
CID 75094315
methyl (2S)-2-phenyl-2-propan-2-yloxyacetate
CID 102179999
2-(2-formylphenoxy)butanamide
CID 62900622
ethyl 2-fluoro-2-(2-formylphenoxy)acetate
CID 146450641
methyl 2-phenyl-2-trimethylsilyloxyacetate
CID 601544
methyl 2-(2-acetyl-4-bromo-3-methylphenoxy)-2-phenylacetate
CID 67792021
methyl 2-phenyl-2-prop-2-enoxyacetate
CID 13341026

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-formylphenoxy)-2-phenylacetate?
The IUPAC name of methyl 2-(2-formylphenoxy)-2-phenylacetate (CID 87797080) is methyl 2-(2-formylphenoxy)-2-phenylacetate.
What is the SMILES notation for methyl 2-(2-formylphenoxy)-2-phenylacetate?
The canonical SMILES for methyl 2-(2-formylphenoxy)-2-phenylacetate is COC(=O)C(Oc1ccccc1C=O)c1ccccc1.
What is the InChIKey of methyl 2-(2-formylphenoxy)-2-phenylacetate?
The InChIKey is BBWUKWVCAOIYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4/c1-19-16(18)15(12-7-3-2-4-8-12)20-14-10-6-5-9-13(14)11-17/h2-11,15H,1H3.
What are the key properties of methyl 2-(2-formylphenoxy)-2-phenylacetate?
methyl 2-(2-formylphenoxy)-2-phenylacetate has a molecular weight of 270.28 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-formylphenoxy)-2-phenylacetate is sourced from PubChem (CID 87797080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).