ethyl 3-(2-hydroxy-3-methylphenyl)-2-methoxypropanoate

C13H18O4 — CID 69424943

IUPACethyl 3-(2-hydroxy-3-methylphenyl)-2-methoxypropanoate
SMILESCCOC(=O)C(Cc1cccc(C)c1O)OC
InChIInChI=1S/C13H18O4/c1-4-17-13(15)11(16-3)8-10-7-5-6-9(2)12(10)14/h5-7,11,14H,4,8H2,1-3H3
InChIKeyWCRLHOZMGQPFRK-UHFFFAOYSA-N
MW238.28 g/mol
LogP1.82
Rot. Bonds5

About ethyl 3-(2-hydroxy-3-methylphenyl)-2-methoxypropanoate

ethyl 3-(2-hydroxy-3-methylphenyl)-2-methoxypropanoate (PubChem CID 69424943) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is ethyl 3-(2-hydroxy-3-methylphenyl)-2-methoxypropanoate.

Molecular Properties

Compound Nameethyl 3-(2-hydroxy-3-methylphenyl)-2-methoxypropanoate
PubChem CID69424943
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Nameethyl 3-(2-hydroxy-3-methylphenyl)-2-methoxypropanoate
SMILESCCOC(=O)C(Cc1cccc(C)c1O)OC
InChIInChI=1S/C13H18O4/c1-4-17-13(15)11(16-3)8-10-7-5-6-9(2)12(10)14/h5-7,11,14H,4,8H2,1-3H3
InChIKeyWCRLHOZMGQPFRK-UHFFFAOYSA-N
XLogP1.82
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-hydroxy-3-methylphenyl)methyl]propanedioic acid
CID 170895438
(2R)-2-amino-3-(2-hydroxy-3-methylphenyl)propanoic acid
CID 67254356
2-methoxy-N-methyl-3-(2-methylphenyl)propanamide
CID 141325108
ethyl (2S)-2-methoxy-3-(4-methoxyphenyl)propanoate
CID 45101649
ethyl (2S)-2-methyl-3-(2-methylphenyl)propanoate
CID 125424870
ethyl (2R)-2-(2,6-dimethylphenoxy)butanoate
CID 125470264
ethyl 2-[2-(2-aminopropyl)-6-methylphenoxy]butanoate
CID 115958127
ethyl 2-[2-(2-aminobutyl)-6-methylphenoxy]butanoate
CID 115958262
ethyl 2-amino-3-(2-hydroxyphenyl)propanoate;hydrochloride
CID 86133997
ethyl 2-methoxybutanoate
CID 59767959
2-[(2-hydroxy-3-methylphenyl)methyl]-6-methylphenol
CID 164967326
ethyl 2-[2-(2-aminoethyl)-6-methylphenoxy]butanoate
CID 112614882

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-hydroxy-3-methylphenyl)-2-methoxypropanoate?
The IUPAC name of ethyl 3-(2-hydroxy-3-methylphenyl)-2-methoxypropanoate (CID 69424943) is ethyl 3-(2-hydroxy-3-methylphenyl)-2-methoxypropanoate.
What is the SMILES notation for ethyl 3-(2-hydroxy-3-methylphenyl)-2-methoxypropanoate?
The canonical SMILES for ethyl 3-(2-hydroxy-3-methylphenyl)-2-methoxypropanoate is CCOC(=O)C(Cc1cccc(C)c1O)OC.
What is the InChIKey of ethyl 3-(2-hydroxy-3-methylphenyl)-2-methoxypropanoate?
The InChIKey is WCRLHOZMGQPFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c1-4-17-13(15)11(16-3)8-10-7-5-6-9(2)12(10)14/h5-7,11,14H,4,8H2,1-3H3.
What are the key properties of ethyl 3-(2-hydroxy-3-methylphenyl)-2-methoxypropanoate?
ethyl 3-(2-hydroxy-3-methylphenyl)-2-methoxypropanoate has a molecular weight of 238.28 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-hydroxy-3-methylphenyl)-2-methoxypropanoate is sourced from PubChem (CID 69424943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).