ethyl 2-(5-hydroxy-2-methoxyphenyl)propanoate

C12H16O4 — CID 105481737

IUPACethyl 2-(5-hydroxy-2-methoxyphenyl)propanoate
SMILESCCOC(=O)C(C)c1cc(O)ccc1OC
InChIInChI=1S/C12H16O4/c1-4-16-12(14)8(2)10-7-9(13)5-6-11(10)15-3/h5-8,13H,4H2,1-3H3
InChIKeyKEFHCGIEXWMCBH-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.07
Rot. Bonds4

About ethyl 2-(5-hydroxy-2-methoxyphenyl)propanoate

ethyl 2-(5-hydroxy-2-methoxyphenyl)propanoate (PubChem CID 105481737) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is ethyl 2-(5-hydroxy-2-methoxyphenyl)propanoate.

Molecular Properties

Compound Nameethyl 2-(5-hydroxy-2-methoxyphenyl)propanoate
PubChem CID105481737
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Nameethyl 2-(5-hydroxy-2-methoxyphenyl)propanoate
SMILESCCOC(=O)C(C)c1cc(O)ccc1OC
InChIInChI=1S/C12H16O4/c1-4-16-12(14)8(2)10-7-9(13)5-6-11(10)15-3/h5-8,13H,4H2,1-3H3
InChIKeyKEFHCGIEXWMCBH-UHFFFAOYSA-N
XLogP2.07
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2S)-2-(2-methoxyphenyl)propanoate
CID 129388209
ethyl 2,3-dihydroxy-3-(4-hydroxy-2-methoxyphenyl)propanoate
CID 171865971
3-[(1R)-1-aminoethyl]-4-methoxyphenol
CID 131197518
methyl 2-(2-methoxy-5-propylphenyl)propanoate
CID 105497841
methyl 2-(4-hydroxy-2-methylphenyl)propanoate
CID 131289275
3-[(1S)-1-amino-2-methylpropyl]-4-methoxyphenol
CID 131145624
3-[(1S,2S)-1-amino-2-hydroxypropyl]-4-methoxyphenol
CID 131000809
ethyl (2S)-2-(3,4,5-trimethoxyphenyl)propanoate
CID 95479616
3-[(1R)-1-amino-2-hydroxyethyl]-4-methoxyphenol
CID 55292444
ethyl 2-hydroxy-2-(2-methoxy-5-methylphenyl)acetate
CID 10775496
2-(2-methoxy-5-methylphenyl)pentan-3-one
CID 79308264
ethyl 2-(2-amino-5-methoxyphenyl)propanoate
CID 106987688

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-hydroxy-2-methoxyphenyl)propanoate?
The IUPAC name of ethyl 2-(5-hydroxy-2-methoxyphenyl)propanoate (CID 105481737) is ethyl 2-(5-hydroxy-2-methoxyphenyl)propanoate.
What is the SMILES notation for ethyl 2-(5-hydroxy-2-methoxyphenyl)propanoate?
The canonical SMILES for ethyl 2-(5-hydroxy-2-methoxyphenyl)propanoate is CCOC(=O)C(C)c1cc(O)ccc1OC.
What is the InChIKey of ethyl 2-(5-hydroxy-2-methoxyphenyl)propanoate?
The InChIKey is KEFHCGIEXWMCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-4-16-12(14)8(2)10-7-9(13)5-6-11(10)15-3/h5-8,13H,4H2,1-3H3.
What are the key properties of ethyl 2-(5-hydroxy-2-methoxyphenyl)propanoate?
ethyl 2-(5-hydroxy-2-methoxyphenyl)propanoate has a molecular weight of 224.26 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-hydroxy-2-methoxyphenyl)propanoate is sourced from PubChem (CID 105481737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).