Ethyl 2-[(4-phenoxyphenyl)methoxy]-3-propanoylbenzoate

Name: Ethyl 2-[(4-phenoxyphenyl)methoxy]-3-propanoylbenzoate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₅H₂₄O₅ — CID 151265933

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACethyl 2-[(4-phenoxyphenyl)methoxy]-3-propanoylbenzoate

SMILESCCOC(=O)c1cccc(C(=O)CC)c1OCc1ccc(Oc2ccccc2)cc1

InChIInChI=1S/C25H24O5/c1-3-23(26)21-11-8-12-22(25(27)28-4-2)24(21)29-17-18-13-15-20(16-14-18)30-19-9-6-5-7-10-19/h5-16H,3-4,17H2,1-2H3

InChIKeyNVINQRTZOHWNAB-UHFFFAOYSA-N

MW404.46 g/mol

LogP5.83

Rot. Bonds9

About Ethyl 2-[(4-phenoxyphenyl)methoxy]-3-propanoylbenzoate

Ethyl 2-[(4-phenoxyphenyl)methoxy]-3-propanoylbenzoate (PubChem CID 151265933) has the molecular formula C₂₅H₂₄O₅ and a molecular weight of 404.46 g/mol. Its IUPAC name is ethyl 2-[(4-phenoxyphenyl)methoxy]-3-propanoylbenzoate.

Molecular Properties

Compound Name	Ethyl 2-[(4-phenoxyphenyl)methoxy]-3-propanoylbenzoate
PubChem CID	151265933
Molecular Formula	C₂₅H₂₄O₅
Molecular Weight	404.46 g/mol
Exact Mass	404.16
IUPAC Name	ethyl 2-[(4-phenoxyphenyl)methoxy]-3-propanoylbenzoate
SMILES	CCOC(=O)c1cccc(C(=O)CC)c1OCc1ccc(Oc2ccccc2)cc1
InChI	InChI=1S/C25H24O5/c1-3-23(26)21-11-8-12-22(25(27)28-4-2)24(21)29-17-18-13-15-20(16-14-18)30-19-9-6-5-7-10-19/h5-16H,3-4,17H2,1-2H3
InChIKey	NVINQRTZOHWNAB-UHFFFAOYSA-N
XLogP	5.83
TPSA	61.83 Å²
H-Bond Donors
H-Bond Acceptors	5
Rotatable Bonds	9
Heavy Atoms	30
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	404.46
LogP ≤ 5	5.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of Ethyl 2-[(4-phenoxyphenyl)methoxy]-3-propanoylbenzoate?

The IUPAC name of Ethyl 2-[(4-phenoxyphenyl)methoxy]-3-propanoylbenzoate (CID 151265933) is ethyl 2-[(4-phenoxyphenyl)methoxy]-3-propanoylbenzoate.

What is the SMILES notation for Ethyl 2-[(4-phenoxyphenyl)methoxy]-3-propanoylbenzoate?

The canonical SMILES for Ethyl 2-[(4-phenoxyphenyl)methoxy]-3-propanoylbenzoate is CCOC(=O)c1cccc(C(=O)CC)c1OCc1ccc(Oc2ccccc2)cc1.

What is the InChIKey of Ethyl 2-[(4-phenoxyphenyl)methoxy]-3-propanoylbenzoate?

The InChIKey is NVINQRTZOHWNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24O5/c1-3-23(26)21-11-8-12-22(25(27)28-4-2)24(21)29-17-18-13-15-20(16-14-18)30-19-9-6-5-7-10-19/h5-16H,3-4,17H2,1-2H3.

What are the key properties of Ethyl 2-[(4-phenoxyphenyl)methoxy]-3-propanoylbenzoate?

Ethyl 2-[(4-phenoxyphenyl)methoxy]-3-propanoylbenzoate has a molecular weight of 404.46 g/mol, XLogP of 5.83, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for Ethyl 2-[(4-phenoxyphenyl)methoxy]-3-propanoylbenzoate is sourced from PubChem (CID 151265933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 151265933 — identifiers, structure, computed properties (public domain)

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