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

C16H13FO4 — CID 129162561

IUPAC(4-fluorophenyl) 2-(3-acetyloxyphenyl)acetate
SMILESCC(=O)Oc1cccc(CC(=O)Oc2ccc(F)cc2)c1
InChIInChI=1S/C16H13FO4/c1-11(18)20-15-4-2-3-12(9-15)10-16(19)21-14-7-5-13(17)6-8-14/h2-9H,10H2,1H3
InChIKeyBIYUBYWUBJWLOH-UHFFFAOYSA-N
MW288.27 g/mol
LogP2.90
Rot. Bonds4

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

(4-fluorophenyl) 2-(3-acetyloxyphenyl)acetate (PubChem CID 129162561) has the molecular formula C16H13FO4 and a molecular weight of 288.27 g/mol. Its IUPAC name is (4-fluorophenyl) 2-(3-acetyloxyphenyl)acetate.

Molecular Properties

Compound Name(4-fluorophenyl) 2-(3-acetyloxyphenyl)acetate
PubChem CID129162561
Molecular FormulaC16H13FO4
Molecular Weight288.27 g/mol
Exact Mass288.08
IUPAC Name(4-fluorophenyl) 2-(3-acetyloxyphenyl)acetate
SMILESCC(=O)Oc1cccc(CC(=O)Oc2ccc(F)cc2)c1
InChIInChI=1S/C16H13FO4/c1-11(18)20-15-4-2-3-12(9-15)10-16(19)21-14-7-5-13(17)6-8-14/h2-9H,10H2,1H3
InChIKeyBIYUBYWUBJWLOH-UHFFFAOYSA-N
XLogP2.90
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

phenyl 2-(3-fluorophenyl)acetate
CID 121272908
(3-formylphenyl) 2-(4-fluorophenyl)acetate
CID 39199738
(3-propylphenyl) acetate
CID 44589271
2-[3-(4-fluorophenoxy)phenyl]acetic acid
CID 138754182
(3-ethylphenyl) 2-[[2-(4-fluorophenyl)acetyl]amino]acetate
CID 110670877
[4-(4-fluorobenzoyl)phenyl] 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate
CID 7931073
(4-methylphenyl) 2-(4-acetyloxyphenyl)acetate
CID 167274281
[4-(3-acetyloxyphenoxy)phenyl] acetate
CID 23459901
phenyl 2-phenylacetate;zinc
CID 70522084
[3-(3-iodopropyl)phenyl] acetate
CID 68985317
[3-[(3-fluorophenyl)methylcarbamoylamino]phenyl] acetate
CID 108865379
[3-(isocyanatomethyl)phenyl] acetate
CID 22661222

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl) 2-(3-acetyloxyphenyl)acetate?
The IUPAC name of (4-fluorophenyl) 2-(3-acetyloxyphenyl)acetate (CID 129162561) is (4-fluorophenyl) 2-(3-acetyloxyphenyl)acetate.
What is the SMILES notation for (4-fluorophenyl) 2-(3-acetyloxyphenyl)acetate?
The canonical SMILES for (4-fluorophenyl) 2-(3-acetyloxyphenyl)acetate is CC(=O)Oc1cccc(CC(=O)Oc2ccc(F)cc2)c1.
What is the InChIKey of (4-fluorophenyl) 2-(3-acetyloxyphenyl)acetate?
The InChIKey is BIYUBYWUBJWLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FO4/c1-11(18)20-15-4-2-3-12(9-15)10-16(19)21-14-7-5-13(17)6-8-14/h2-9H,10H2,1H3.
What are the key properties of (4-fluorophenyl) 2-(3-acetyloxyphenyl)acetate?
(4-fluorophenyl) 2-(3-acetyloxyphenyl)acetate has a molecular weight of 288.27 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl) 2-(3-acetyloxyphenyl)acetate is sourced from PubChem (CID 129162561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).