(3-formylphenyl) 2-(4-fluorophenyl)acetate

C15H11FO3 — CID 39199738

IUPAC(3-formylphenyl) 2-(4-fluorophenyl)acetate
SMILESO=Cc1cccc(OC(=O)Cc2ccc(F)cc2)c1
InChIInChI=1S/C15H11FO3/c16-13-6-4-11(5-7-13)9-15(18)19-14-3-1-2-12(8-14)10-17/h1-8,10H,9H2
InChIKeyJJWQDPSLDVWKNE-UHFFFAOYSA-N
MW258.25 g/mol
LogP2.79
Rot. Bonds4

About (3-formylphenyl) 2-(4-fluorophenyl)acetate

(3-formylphenyl) 2-(4-fluorophenyl)acetate (PubChem CID 39199738) has the molecular formula C15H11FO3 and a molecular weight of 258.25 g/mol. Its IUPAC name is (3-formylphenyl) 2-(4-fluorophenyl)acetate.

Molecular Properties

Compound Name(3-formylphenyl) 2-(4-fluorophenyl)acetate
PubChem CID39199738
Molecular FormulaC15H11FO3
Molecular Weight258.25 g/mol
Exact Mass258.07
IUPAC Name(3-formylphenyl) 2-(4-fluorophenyl)acetate
SMILESO=Cc1cccc(OC(=O)Cc2ccc(F)cc2)c1
InChIInChI=1S/C15H11FO3/c16-13-6-4-11(5-7-13)9-15(18)19-14-3-1-2-12(8-14)10-17/h1-8,10H,9H2
InChIKeyJJWQDPSLDVWKNE-UHFFFAOYSA-N
XLogP2.79
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 52.79
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'}

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Related Compounds

[3-[(E)-2-(4-chlorophenyl)-2-cyanoethenyl]phenyl] 2-(4-fluorophenyl)acetate
CID 39115441
(3-formylphenyl) 3-chloropropanoate
CID 87706674
(3-formylphenyl) 2-methoxyacetate
CID 39199878
bis(3-formylphenyl) oxalate
CID 10968521
(4-fluorophenyl) 2-(3-acetyloxyphenyl)acetate
CID 129162561
(3-formylphenyl) 2-(4-ethylphenoxy)acetate
CID 39199857
(3-formylphenyl) 5-hydroxypentanoate
CID 87707014
5-(3-formylphenoxy)-2-methylidene-5-oxopentanoic acid
CID 87706948
phenyl 2-(3-fluorophenyl)acetate
CID 121272908
(4-formylphenyl) 2-(4-methoxyphenyl)acetate
CID 39199740
(3-ethylphenyl) 2-[[2-(4-fluorophenyl)acetyl]amino]acetate
CID 110670877
(4-formyl-2-methoxy-6-prop-2-enylphenyl) 2-(4-fluorophenyl)acetate
CID 39199735

Frequently Asked Questions

What is the IUPAC name of (3-formylphenyl) 2-(4-fluorophenyl)acetate?
The IUPAC name of (3-formylphenyl) 2-(4-fluorophenyl)acetate (CID 39199738) is (3-formylphenyl) 2-(4-fluorophenyl)acetate.
What is the SMILES notation for (3-formylphenyl) 2-(4-fluorophenyl)acetate?
The canonical SMILES for (3-formylphenyl) 2-(4-fluorophenyl)acetate is O=Cc1cccc(OC(=O)Cc2ccc(F)cc2)c1.
What is the InChIKey of (3-formylphenyl) 2-(4-fluorophenyl)acetate?
The InChIKey is JJWQDPSLDVWKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FO3/c16-13-6-4-11(5-7-13)9-15(18)19-14-3-1-2-12(8-14)10-17/h1-8,10H,9H2.
What are the key properties of (3-formylphenyl) 2-(4-fluorophenyl)acetate?
(3-formylphenyl) 2-(4-fluorophenyl)acetate has a molecular weight of 258.25 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-formylphenyl) 2-(4-fluorophenyl)acetate is sourced from PubChem (CID 39199738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).