ethyl 3-hydroxy-2-(3-methoxy-5-methylphenyl)propanoate

C13H18O4 — CID 22600125

IUPACethyl 3-hydroxy-2-(3-methoxy-5-methylphenyl)propanoate
SMILESCCOC(=O)C(CO)c1cc(C)cc(OC)c1
InChIInChI=1S/C13H18O4/c1-4-17-13(15)12(8-14)10-5-9(2)6-11(7-10)16-3/h5-7,12,14H,4,8H2,1-3H3
InChIKeyMPCFXXIKPRLRPW-UHFFFAOYSA-N
MW238.28 g/mol
LogP1.64
Rot. Bonds5

About ethyl 3-hydroxy-2-(3-methoxy-5-methylphenyl)propanoate

ethyl 3-hydroxy-2-(3-methoxy-5-methylphenyl)propanoate (PubChem CID 22600125) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is ethyl 3-hydroxy-2-(3-methoxy-5-methylphenyl)propanoate.

Molecular Properties

Compound Nameethyl 3-hydroxy-2-(3-methoxy-5-methylphenyl)propanoate
PubChem CID22600125
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Nameethyl 3-hydroxy-2-(3-methoxy-5-methylphenyl)propanoate
SMILESCCOC(=O)C(CO)c1cc(C)cc(OC)c1
InChIInChI=1S/C13H18O4/c1-4-17-13(15)12(8-14)10-5-9(2)6-11(7-10)16-3/h5-7,12,14H,4,8H2,1-3H3
InChIKeyMPCFXXIKPRLRPW-UHFFFAOYSA-N
XLogP1.64
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 ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2S)-3-acetyloxy-2-(3,5-dimethoxyphenyl)propanoate
CID 101354731
diethyl 2-methylpropanedioate;1,3,5-trimethoxybenzene
CID 174557224
ethyl 4-(3-methoxy-5-methylphenyl)-5-oxo-5-(2,4,6-trifluorophenyl)pentanoate
CID 163821752
2-(3-methoxy-5-methylphenyl)propan-1-amine
CID 83696098
2-ethylhexyl 3-hydroxy-2-(4-methoxyphenyl)propanoate
CID 66702251
ethyl 2-(3-methoxy-5-methylphenoxy)acetate
CID 59177445
(1R,2S)-1-amino-1-(3-methoxy-5-methylphenyl)propan-2-ol
CID 130641890
ethyl 2-(2,5-dimethylphenyl)-3-hydroxypropanoate
CID 45097761
2,2,2-trifluoro-N-[1-(3-methoxy-5-methylphenyl)ethyl]acetamide
CID 118337236
tetraethyl (2R,3S)-2,3-bis(4-methoxyphenyl)butane-1,1,4,4-tetracarboxylate
CID 10602909
1-[diethylphosphoryl(methoxy)methyl]-3-methoxy-5-methylbenzene
CID 54392795
ethyl (2S)-2-(5-bromo-2-methoxyphenyl)-3-hydroxypropanoate
CID 102076818

Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxy-2-(3-methoxy-5-methylphenyl)propanoate?
The IUPAC name of ethyl 3-hydroxy-2-(3-methoxy-5-methylphenyl)propanoate (CID 22600125) is ethyl 3-hydroxy-2-(3-methoxy-5-methylphenyl)propanoate.
What is the SMILES notation for ethyl 3-hydroxy-2-(3-methoxy-5-methylphenyl)propanoate?
The canonical SMILES for ethyl 3-hydroxy-2-(3-methoxy-5-methylphenyl)propanoate is CCOC(=O)C(CO)c1cc(C)cc(OC)c1.
What is the InChIKey of ethyl 3-hydroxy-2-(3-methoxy-5-methylphenyl)propanoate?
The InChIKey is MPCFXXIKPRLRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c1-4-17-13(15)12(8-14)10-5-9(2)6-11(7-10)16-3/h5-7,12,14H,4,8H2,1-3H3.
What are the key properties of ethyl 3-hydroxy-2-(3-methoxy-5-methylphenyl)propanoate?
ethyl 3-hydroxy-2-(3-methoxy-5-methylphenyl)propanoate has a molecular weight of 238.28 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxy-2-(3-methoxy-5-methylphenyl)propanoate is sourced from PubChem (CID 22600125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).