ethyl 3-(3-hydroxy-4-methoxyphenyl)propanoate

C12H16O4 — CID 10867928

IUPACethyl 3-(3-hydroxy-4-methoxyphenyl)propanoate
SMILESCCOC(=O)CCc1ccc(OC)c(O)c1
InChIInChI=1S/C12H16O4/c1-3-16-12(14)7-5-9-4-6-11(15-2)10(13)8-9/h4,6,8,13H,3,5,7H2,1-2H3
InChIKeyDMZVLBDGNZXVKA-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.90
Rot. Bonds5

About ethyl 3-(3-hydroxy-4-methoxyphenyl)propanoate

ethyl 3-(3-hydroxy-4-methoxyphenyl)propanoate (PubChem CID 10867928) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is ethyl 3-(3-hydroxy-4-methoxyphenyl)propanoate.

Molecular Properties

Compound Nameethyl 3-(3-hydroxy-4-methoxyphenyl)propanoate
PubChem CID10867928
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Nameethyl 3-(3-hydroxy-4-methoxyphenyl)propanoate
SMILESCCOC(=O)CCc1ccc(OC)c(O)c1
InChIInChI=1S/C12H16O4/c1-3-16-12(14)7-5-9-4-6-11(15-2)10(13)8-9/h4,6,8,13H,3,5,7H2,1-2H3
InChIKeyDMZVLBDGNZXVKA-UHFFFAOYSA-N
XLogP1.90
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(3-ethyl-4-methoxyphenyl)propanoate
CID 58566699
ethyl 3-[4-(difluoromethoxy)-3-hydroxyphenyl]propanoate
CID 134632626
1,7-bis(3-hydroxy-4-methoxyphenyl)heptane-3,5-dione
CID 22501459
ethyl 5-(3,4-dimethoxyphenyl)pentanoate
CID 15833333
ethyl 3-[4-[5-(3-hydroxypropyl)-2-methoxyphenoxy]phenyl]propanoate
CID 71497129
diethyl 2-[(3-hydroxy-4-methoxyphenyl)methyl]propanedioate
CID 59114437
ethyl 3-[4-hydroxy-3-(3-methoxypropoxy)phenyl]propanoate
CID 66907182
ethyl 3-[3-(3-ethoxy-3-oxopropyl)phenyl]propanoate
CID 69039070
5-[4-(3-hydroxy-4-methoxyphenyl)butyl]-2-methoxyphenol
CID 57066187
ethyl 3-[3-(difluoromethoxy)-4-hydroxyphenyl]propanoate
CID 134632501
2-(3-hydroxy-4-methoxyphenyl)ethylcarbamic acid
CID 174214574
5-(2-aminoethyl)-2-methoxyphenol chloride
CID 53313231

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-hydroxy-4-methoxyphenyl)propanoate?
The IUPAC name of ethyl 3-(3-hydroxy-4-methoxyphenyl)propanoate (CID 10867928) is ethyl 3-(3-hydroxy-4-methoxyphenyl)propanoate.
What is the SMILES notation for ethyl 3-(3-hydroxy-4-methoxyphenyl)propanoate?
The canonical SMILES for ethyl 3-(3-hydroxy-4-methoxyphenyl)propanoate is CCOC(=O)CCc1ccc(OC)c(O)c1.
What is the InChIKey of ethyl 3-(3-hydroxy-4-methoxyphenyl)propanoate?
The InChIKey is DMZVLBDGNZXVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-3-16-12(14)7-5-9-4-6-11(15-2)10(13)8-9/h4,6,8,13H,3,5,7H2,1-2H3.
What are the key properties of ethyl 3-(3-hydroxy-4-methoxyphenyl)propanoate?
ethyl 3-(3-hydroxy-4-methoxyphenyl)propanoate has a molecular weight of 224.26 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-hydroxy-4-methoxyphenyl)propanoate is sourced from PubChem (CID 10867928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).