ethyl 3-[1-(4-hydroxyphenyl)-3-methyl-2H-imidazol-2-yl]propanoate

C15H20N2O3 — CID 175219644

IUPACethyl 3-[1-(4-hydroxyphenyl)-3-methyl-2H-imidazol-2-yl]propanoate
SMILESCCOC(=O)CCC1N(C)C=CN1c1ccc(O)cc1
InChIInChI=1S/C15H20N2O3/c1-3-20-15(19)9-8-14-16(2)10-11-17(14)12-4-6-13(18)7-5-12/h4-7,10-11,14,18H,3,8-9H2,1-2H3
InChIKeyVUONUXITUXKNHS-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.28
Rot. Bonds5

About ethyl 3-[1-(4-hydroxyphenyl)-3-methyl-2H-imidazol-2-yl]propanoate

ethyl 3-[1-(4-hydroxyphenyl)-3-methyl-2H-imidazol-2-yl]propanoate (PubChem CID 175219644) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is ethyl 3-[1-(4-hydroxyphenyl)-3-methyl-2H-imidazol-2-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[1-(4-hydroxyphenyl)-3-methyl-2H-imidazol-2-yl]propanoate
PubChem CID175219644
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Nameethyl 3-[1-(4-hydroxyphenyl)-3-methyl-2H-imidazol-2-yl]propanoate
SMILESCCOC(=O)CCC1N(C)C=CN1c1ccc(O)cc1
InChIInChI=1S/C15H20N2O3/c1-3-20-15(19)9-8-14-16(2)10-11-17(14)12-4-6-13(18)7-5-12/h4-7,10-11,14,18H,3,8-9H2,1-2H3
InChIKeyVUONUXITUXKNHS-UHFFFAOYSA-N
XLogP2.28
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[1-(4-hydroxyphenyl)-3-methyl-2H-imidazol-2-yl]propanoate?
The IUPAC name of ethyl 3-[1-(4-hydroxyphenyl)-3-methyl-2H-imidazol-2-yl]propanoate (CID 175219644) is ethyl 3-[1-(4-hydroxyphenyl)-3-methyl-2H-imidazol-2-yl]propanoate.
What is the SMILES notation for ethyl 3-[1-(4-hydroxyphenyl)-3-methyl-2H-imidazol-2-yl]propanoate?
The canonical SMILES for ethyl 3-[1-(4-hydroxyphenyl)-3-methyl-2H-imidazol-2-yl]propanoate is CCOC(=O)CCC1N(C)C=CN1c1ccc(O)cc1.
What is the InChIKey of ethyl 3-[1-(4-hydroxyphenyl)-3-methyl-2H-imidazol-2-yl]propanoate?
The InChIKey is VUONUXITUXKNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-3-20-15(19)9-8-14-16(2)10-11-17(14)12-4-6-13(18)7-5-12/h4-7,10-11,14,18H,3,8-9H2,1-2H3.
What are the key properties of ethyl 3-[1-(4-hydroxyphenyl)-3-methyl-2H-imidazol-2-yl]propanoate?
ethyl 3-[1-(4-hydroxyphenyl)-3-methyl-2H-imidazol-2-yl]propanoate has a molecular weight of 276.34 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[1-(4-hydroxyphenyl)-3-methyl-2H-imidazol-2-yl]propanoate is sourced from PubChem (CID 175219644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).