(4-fluorophenyl) 2-(4-methoxyphenyl)acetate

C15H13FO3 — CID 6458471

IUPAC(4-fluorophenyl) 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)Oc2ccc(F)cc2)cc1
InChIInChI=1S/C15H13FO3/c1-18-13-6-2-11(3-7-13)10-15(17)19-14-8-4-12(16)5-9-14/h2-9H,10H2,1H3
InChIKeyOOOYDYVCMWWDDW-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.98
Rot. Bonds4

About (4-fluorophenyl) 2-(4-methoxyphenyl)acetate

(4-fluorophenyl) 2-(4-methoxyphenyl)acetate (PubChem CID 6458471) has the molecular formula C15H13FO3 and a molecular weight of 260.26 g/mol. Its IUPAC name is (4-fluorophenyl) 2-(4-methoxyphenyl)acetate.

Molecular Properties

Compound Name(4-fluorophenyl) 2-(4-methoxyphenyl)acetate
PubChem CID6458471
Molecular FormulaC15H13FO3
Molecular Weight260.26 g/mol
Exact Mass260.08
IUPAC Name(4-fluorophenyl) 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)Oc2ccc(F)cc2)cc1
InChIInChI=1S/C15H13FO3/c1-18-13-6-2-11(3-7-13)10-15(17)19-14-8-4-12(16)5-9-14/h2-9H,10H2,1H3
InChIKeyOOOYDYVCMWWDDW-UHFFFAOYSA-N
XLogP2.98
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl) 2-(4-methoxyphenyl)acetate?
The IUPAC name of (4-fluorophenyl) 2-(4-methoxyphenyl)acetate (CID 6458471) is (4-fluorophenyl) 2-(4-methoxyphenyl)acetate.
What is the SMILES notation for (4-fluorophenyl) 2-(4-methoxyphenyl)acetate?
The canonical SMILES for (4-fluorophenyl) 2-(4-methoxyphenyl)acetate is COc1ccc(CC(=O)Oc2ccc(F)cc2)cc1.
What is the InChIKey of (4-fluorophenyl) 2-(4-methoxyphenyl)acetate?
The InChIKey is OOOYDYVCMWWDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO3/c1-18-13-6-2-11(3-7-13)10-15(17)19-14-8-4-12(16)5-9-14/h2-9H,10H2,1H3.
What are the key properties of (4-fluorophenyl) 2-(4-methoxyphenyl)acetate?
(4-fluorophenyl) 2-(4-methoxyphenyl)acetate has a molecular weight of 260.26 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl) 2-(4-methoxyphenyl)acetate is sourced from PubChem (CID 6458471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).