(2-methoxyphenyl) 3-phenylpropanoate

C16H16O3 — CID 580047

IUPAC(2-methoxyphenyl) 3-phenylpropanoate
SMILESCOc1ccccc1OC(=O)CCc1ccccc1
InChIInChI=1S/C16H16O3/c1-18-14-9-5-6-10-15(14)19-16(17)12-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3
InChIKeyHDEDRPIBTIAWJP-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.23
Rot. Bonds5

About (2-methoxyphenyl) 3-phenylpropanoate

(2-methoxyphenyl) 3-phenylpropanoate (PubChem CID 580047) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is (2-methoxyphenyl) 3-phenylpropanoate.

Molecular Properties

Compound Name(2-methoxyphenyl) 3-phenylpropanoate
PubChem CID580047
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name(2-methoxyphenyl) 3-phenylpropanoate
SMILESCOc1ccccc1OC(=O)CCc1ccccc1
InChIInChI=1S/C16H16O3/c1-18-14-9-5-6-10-15(14)19-16(17)12-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3
InChIKeyHDEDRPIBTIAWJP-UHFFFAOYSA-N
XLogP3.23
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.23
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 (2-methoxyphenyl) 3-phenylpropanoate?
The IUPAC name of (2-methoxyphenyl) 3-phenylpropanoate (CID 580047) is (2-methoxyphenyl) 3-phenylpropanoate.
What is the SMILES notation for (2-methoxyphenyl) 3-phenylpropanoate?
The canonical SMILES for (2-methoxyphenyl) 3-phenylpropanoate is COc1ccccc1OC(=O)CCc1ccccc1.
What is the InChIKey of (2-methoxyphenyl) 3-phenylpropanoate?
The InChIKey is HDEDRPIBTIAWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-18-14-9-5-6-10-15(14)19-16(17)12-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3.
What are the key properties of (2-methoxyphenyl) 3-phenylpropanoate?
(2-methoxyphenyl) 3-phenylpropanoate has a molecular weight of 256.30 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl) 3-phenylpropanoate is sourced from PubChem (CID 580047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).