(4-methoxyphenyl) 2-phenylacetate

C15H14O3 — CID 532299

IUPAC(4-methoxyphenyl) 2-phenylacetate
SMILESCOc1ccc(OC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C15H14O3/c1-17-13-7-9-14(10-8-13)18-15(16)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKeyQLPZFSTUQGHXNJ-UHFFFAOYSA-N
MW242.27 g/mol
LogP2.84
Rot. Bonds4

About (4-methoxyphenyl) 2-phenylacetate

(4-methoxyphenyl) 2-phenylacetate (PubChem CID 532299) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is (4-methoxyphenyl) 2-phenylacetate.

Molecular Properties

Compound Name(4-methoxyphenyl) 2-phenylacetate
PubChem CID532299
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name(4-methoxyphenyl) 2-phenylacetate
SMILESCOc1ccc(OC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C15H14O3/c1-17-13-7-9-14(10-8-13)18-15(16)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKeyQLPZFSTUQGHXNJ-UHFFFAOYSA-N
XLogP2.84
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 52.84
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-methoxyphenyl) 2-phenylacetate?
The IUPAC name of (4-methoxyphenyl) 2-phenylacetate (CID 532299) is (4-methoxyphenyl) 2-phenylacetate.
What is the SMILES notation for (4-methoxyphenyl) 2-phenylacetate?
The canonical SMILES for (4-methoxyphenyl) 2-phenylacetate is COc1ccc(OC(=O)Cc2ccccc2)cc1.
What is the InChIKey of (4-methoxyphenyl) 2-phenylacetate?
The InChIKey is QLPZFSTUQGHXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c1-17-13-7-9-14(10-8-13)18-15(16)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3.
What are the key properties of (4-methoxyphenyl) 2-phenylacetate?
(4-methoxyphenyl) 2-phenylacetate has a molecular weight of 242.27 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl) 2-phenylacetate is sourced from PubChem (CID 532299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).