ethyl 4-[4-(2-ethoxy-2-oxoethyl)phenoxy]benzoate

C19H20O5 — CID 132581911

IUPACethyl 4-[4-(2-ethoxy-2-oxoethyl)phenoxy]benzoate
SMILESCCOC(=O)Cc1ccc(Oc2ccc(C(=O)OCC)cc2)cc1
InChIInChI=1S/C19H20O5/c1-3-22-18(20)13-14-5-9-16(10-6-14)24-17-11-7-15(8-12-17)19(21)23-4-2/h5-12H,3-4,13H2,1-2H3
InChIKeyRCFBWLMZJKWYRM-UHFFFAOYSA-N
MW328.36 g/mol
LogP3.76
Rot. Bonds7

About ethyl 4-[4-(2-ethoxy-2-oxoethyl)phenoxy]benzoate

ethyl 4-[4-(2-ethoxy-2-oxoethyl)phenoxy]benzoate (PubChem CID 132581911) has the molecular formula C19H20O5 and a molecular weight of 328.36 g/mol. Its IUPAC name is ethyl 4-[4-(2-ethoxy-2-oxoethyl)phenoxy]benzoate.

Molecular Properties

Compound Nameethyl 4-[4-(2-ethoxy-2-oxoethyl)phenoxy]benzoate
PubChem CID132581911
Molecular FormulaC19H20O5
Molecular Weight328.36 g/mol
Exact Mass328.13
IUPAC Nameethyl 4-[4-(2-ethoxy-2-oxoethyl)phenoxy]benzoate
SMILESCCOC(=O)Cc1ccc(Oc2ccc(C(=O)OCC)cc2)cc1
InChIInChI=1S/C19H20O5/c1-3-22-18(20)13-14-5-9-16(10-6-14)24-17-11-7-15(8-12-17)19(21)23-4-2/h5-12H,3-4,13H2,1-2H3
InChIKeyRCFBWLMZJKWYRM-UHFFFAOYSA-N
XLogP3.76
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[4-(aminomethyl)phenoxy]benzoate
CID 66585359
ethyl 4-[4-(2-amino-2-methylpropyl)phenoxy]benzoate
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ethyl 4-(4-hexylphenoxy)benzoate
CID 142414889
ethyl 4-(2-amino-2-sulfanylideneethyl)benzoate
CID 13302179
ethyl 4-[2-(4-methylphenyl)acetyl]benzoate
CID 15182973
CID 58447889
CID 58447889
ethyl 4-(hydroxymethyl)benzoate;methane
CID 162096711
ethyl 4-methoxybenzoate;hydrochloride
CID 143432301
ethyl 2-[4-[4-(trifluoromethoxy)phenyl]phenyl]acetate
CID 170432744
ethyl 2-phenylacetate
CID 7590
ethyl 2-[4-(3-aminopropoxy)phenyl]acetate
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ethyl 4-(4-ethoxycarbonylbenzoyl)benzoate
CID 11110194

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-(2-ethoxy-2-oxoethyl)phenoxy]benzoate?
The IUPAC name of ethyl 4-[4-(2-ethoxy-2-oxoethyl)phenoxy]benzoate (CID 132581911) is ethyl 4-[4-(2-ethoxy-2-oxoethyl)phenoxy]benzoate.
What is the SMILES notation for ethyl 4-[4-(2-ethoxy-2-oxoethyl)phenoxy]benzoate?
The canonical SMILES for ethyl 4-[4-(2-ethoxy-2-oxoethyl)phenoxy]benzoate is CCOC(=O)Cc1ccc(Oc2ccc(C(=O)OCC)cc2)cc1.
What is the InChIKey of ethyl 4-[4-(2-ethoxy-2-oxoethyl)phenoxy]benzoate?
The InChIKey is RCFBWLMZJKWYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O5/c1-3-22-18(20)13-14-5-9-16(10-6-14)24-17-11-7-15(8-12-17)19(21)23-4-2/h5-12H,3-4,13H2,1-2H3.
What are the key properties of ethyl 4-[4-(2-ethoxy-2-oxoethyl)phenoxy]benzoate?
ethyl 4-[4-(2-ethoxy-2-oxoethyl)phenoxy]benzoate has a molecular weight of 328.36 g/mol, XLogP of 3.76, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-(2-ethoxy-2-oxoethyl)phenoxy]benzoate is sourced from PubChem (CID 132581911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).