ethyl 3-(3-hydroxyphenoxy)propanoate

C11H14O4 — CID 156769963

IUPACethyl 3-(3-hydroxyphenoxy)propanoate
SMILESCCOC(=O)CCOc1cccc(O)c1
InChIInChI=1S/C11H14O4/c1-2-14-11(13)6-7-15-10-5-3-4-9(12)8-10/h3-5,8,12H,2,6-7H2,1H3
InChIKeyYJPJZZUHAOKAGO-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.72
Rot. Bonds5

About ethyl 3-(3-hydroxyphenoxy)propanoate

ethyl 3-(3-hydroxyphenoxy)propanoate (PubChem CID 156769963) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is ethyl 3-(3-hydroxyphenoxy)propanoate.

Molecular Properties

Compound Nameethyl 3-(3-hydroxyphenoxy)propanoate
PubChem CID156769963
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Nameethyl 3-(3-hydroxyphenoxy)propanoate
SMILESCCOC(=O)CCOc1cccc(O)c1
InChIInChI=1S/C11H14O4/c1-2-14-11(13)6-7-15-10-5-3-4-9(12)8-10/h3-5,8,12H,2,6-7H2,1H3
InChIKeyYJPJZZUHAOKAGO-UHFFFAOYSA-N
XLogP1.72
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[3-(4-hydroxyphenyl)phenoxy]propanoate
CID 174425410
ethyl 3-phenoxypropanoate;hydrochloride
CID 172712926
ethyl 3-[3-(diethylamino)phenoxy]propanoate
CID 43517017
ethyl 3-(4-chloro-3-methylphenoxy)propanoate
CID 43174157
ethyl 3-(2,6-dimethylphenoxy)propanoate
CID 43173798
ethyl 2-[[3-(3-ethoxy-3-oxopropoxy)phenyl]methyl]-3-(2-hydroxyphenyl)propanoate
CID 70381052
ethyl 2-[2-[4-(3-hydroxyphenoxy)butoxy]-9H-fluoren-9-yl]acetate
CID 91051200
ethyl 4-(3-hydroxy-N-methylanilino)-4-oxobutanoate
CID 107734000
3-ethoxypropyl 3-(3-aminophenoxy)propanoate
CID 65181006
3-(2-ethylsulfonylethoxy)phenol
CID 43808006
ethyl 3-[4-[(E)-2-[4-(3-ethoxy-3-oxopropoxy)phenyl]ethenyl]phenoxy]propanoate
CID 12559678
N-ethyl-2-(3-hydroxyphenoxy)-N-methylacetamide
CID 43309833

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-hydroxyphenoxy)propanoate?
The IUPAC name of ethyl 3-(3-hydroxyphenoxy)propanoate (CID 156769963) is ethyl 3-(3-hydroxyphenoxy)propanoate.
What is the SMILES notation for ethyl 3-(3-hydroxyphenoxy)propanoate?
The canonical SMILES for ethyl 3-(3-hydroxyphenoxy)propanoate is CCOC(=O)CCOc1cccc(O)c1.
What is the InChIKey of ethyl 3-(3-hydroxyphenoxy)propanoate?
The InChIKey is YJPJZZUHAOKAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-2-14-11(13)6-7-15-10-5-3-4-9(12)8-10/h3-5,8,12H,2,6-7H2,1H3.
What are the key properties of ethyl 3-(3-hydroxyphenoxy)propanoate?
ethyl 3-(3-hydroxyphenoxy)propanoate has a molecular weight of 210.23 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-hydroxyphenoxy)propanoate is sourced from PubChem (CID 156769963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).