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

C25H24O5 — CID 151265933

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 Nameethyl 2-[(4-phenoxyphenyl)methoxy]-3-propanoylbenzoate
PubChem CID151265933
Molecular FormulaC25H24O5
Molecular Weight404.46 g/mol
Exact Mass404.16
IUPAC Nameethyl 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
XLogP5.83
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.46
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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4-ethoxycarbonyl-2,5-bis(phenylmethoxy)benzoic acid
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CID 10396060
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ethyl 2-(hydroxyamino)-5-phenoxybenzoate
CID 90258346
ethyl 3-amino-2-(4-fluorophenoxy)benzoate
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ethyl 2-methoxy-4-phenylmethoxybenzoate
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3-amino-1-(3-ethoxy-2-phenylmethoxyphenyl)propan-1-one
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ethyl 2-[[2-oxo-2-(4-phenoxyanilino)ethyl]amino]benzoate
CID 109010741
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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).