ethyl 2-hydroxy-2-(4-phenoxyphenyl)propanoate

C17H18O4 — CID 10859095

IUPACethyl 2-hydroxy-2-(4-phenoxyphenyl)propanoate
SMILESCCOC(=O)C(C)(O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C17H18O4/c1-3-20-16(18)17(2,19)13-9-11-15(12-10-13)21-14-7-5-4-6-8-14/h4-12,19H,3H2,1-2H3
InChIKeyNFJAMPAQUJUQEH-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.25
Rot. Bonds5

About ethyl 2-hydroxy-2-(4-phenoxyphenyl)propanoate

ethyl 2-hydroxy-2-(4-phenoxyphenyl)propanoate (PubChem CID 10859095) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is ethyl 2-hydroxy-2-(4-phenoxyphenyl)propanoate.

Molecular Properties

Compound Nameethyl 2-hydroxy-2-(4-phenoxyphenyl)propanoate
PubChem CID10859095
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Nameethyl 2-hydroxy-2-(4-phenoxyphenyl)propanoate
SMILESCCOC(=O)C(C)(O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C17H18O4/c1-3-20-16(18)17(2,19)13-9-11-15(12-10-13)21-14-7-5-4-6-8-14/h4-12,19H,3H2,1-2H3
InChIKeyNFJAMPAQUJUQEH-UHFFFAOYSA-N
XLogP3.25
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 3342
Tesaglitazar
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Dihydrocapsiate
CID 9873754
Clinofibrate
CID 2787
Naveglitazar
CID 9888484
Anisyl phenylacetate
CID 7599
LT175
CID 11483970
1,3-Bis(4-carboxyphenoxy)propane
CID 68610
Butyrolactone Ii
CID 10405953
Dibenzylbutyrolactone
CID 99938
Lifibrol
CID 57112
Nordihydrocapsiate
CID 9817607

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-2-(4-phenoxyphenyl)propanoate?
The IUPAC name of ethyl 2-hydroxy-2-(4-phenoxyphenyl)propanoate (CID 10859095) is ethyl 2-hydroxy-2-(4-phenoxyphenyl)propanoate.
What is the SMILES notation for ethyl 2-hydroxy-2-(4-phenoxyphenyl)propanoate?
The canonical SMILES for ethyl 2-hydroxy-2-(4-phenoxyphenyl)propanoate is CCOC(=O)C(C)(O)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of ethyl 2-hydroxy-2-(4-phenoxyphenyl)propanoate?
The InChIKey is NFJAMPAQUJUQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c1-3-20-16(18)17(2,19)13-9-11-15(12-10-13)21-14-7-5-4-6-8-14/h4-12,19H,3H2,1-2H3.
What are the key properties of ethyl 2-hydroxy-2-(4-phenoxyphenyl)propanoate?
ethyl 2-hydroxy-2-(4-phenoxyphenyl)propanoate has a molecular weight of 286.33 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-2-(4-phenoxyphenyl)propanoate is sourced from PubChem (CID 10859095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).