ethyl 2,3-dihydroxy-3-(4-methoxy-2,5-dimethylphenyl)propanoate

C14H20O5 — CID 171866438

IUPACethyl 2,3-dihydroxy-3-(4-methoxy-2,5-dimethylphenyl)propanoate
SMILESCCOC(=O)C(O)C(O)c1cc(C)c(OC)cc1C
InChIInChI=1S/C14H20O5/c1-5-19-14(17)13(16)12(15)10-6-9(3)11(18-4)7-8(10)2/h6-7,12-13,15-16H,5H2,1-4H3
InChIKeyNQWJDESGYYXFFI-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.27
Rot. Bonds5

About ethyl 2,3-dihydroxy-3-(4-methoxy-2,5-dimethylphenyl)propanoate

ethyl 2,3-dihydroxy-3-(4-methoxy-2,5-dimethylphenyl)propanoate (PubChem CID 171866438) has the molecular formula C14H20O5 and a molecular weight of 268.31 g/mol. Its IUPAC name is ethyl 2,3-dihydroxy-3-(4-methoxy-2,5-dimethylphenyl)propanoate.

Molecular Properties

Compound Nameethyl 2,3-dihydroxy-3-(4-methoxy-2,5-dimethylphenyl)propanoate
PubChem CID171866438
Molecular FormulaC14H20O5
Molecular Weight268.31 g/mol
Exact Mass268.13
IUPAC Nameethyl 2,3-dihydroxy-3-(4-methoxy-2,5-dimethylphenyl)propanoate
SMILESCCOC(=O)C(O)C(O)c1cc(C)c(OC)cc1C
InChIInChI=1S/C14H20O5/c1-5-19-14(17)13(16)12(15)10-6-9(3)11(18-4)7-8(10)2/h6-7,12-13,15-16H,5H2,1-4H3
InChIKeyNQWJDESGYYXFFI-UHFFFAOYSA-N
XLogP1.27
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2,3-dihydroxy-3-(4-hydroxy-2-methoxyphenyl)propanoate
CID 171865971
ethyl 3-(2,4-dimethylphenyl)-2,3-dihydroxypropanoate
CID 171865672
methyl 3-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)-4-methylbenzoate
CID 171866667
ethyl 2,3-dihydroxy-3-(2-hydroxy-3-methoxyphenyl)propanoate
CID 171865973
ethyl 2,3-dihydroxy-3-(4-methoxy-3-pyridinyl)propanoate
CID 171865897
methyl 4-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)-3-methoxybenzoate
CID 171866986
3-hydroxy-3-(4-methoxy-2,5-dimethylphenyl)propanoic acid
CID 82366763
2,4-diamino-1-(4-methoxy-2,5-dimethylphenyl)butan-1-ol
CID 83927786
ethyl 3-(3,4-dimethoxyphenyl)-2,3-dihydroxypropanoate
CID 74828202
N-[2,3-dihydroxy-3-(4-methoxy-2,5-dimethylphenyl)propyl]acetamide
CID 170830397
methyl 4-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)-3-methylbenzoate
CID 171866670
ethyl 2,3-dihydroxy-3-(4-methoxy-3,5-dimethylphenyl)propanoate
CID 171866441

Frequently Asked Questions

What is the IUPAC name of ethyl 2,3-dihydroxy-3-(4-methoxy-2,5-dimethylphenyl)propanoate?
The IUPAC name of ethyl 2,3-dihydroxy-3-(4-methoxy-2,5-dimethylphenyl)propanoate (CID 171866438) is ethyl 2,3-dihydroxy-3-(4-methoxy-2,5-dimethylphenyl)propanoate.
What is the SMILES notation for ethyl 2,3-dihydroxy-3-(4-methoxy-2,5-dimethylphenyl)propanoate?
The canonical SMILES for ethyl 2,3-dihydroxy-3-(4-methoxy-2,5-dimethylphenyl)propanoate is CCOC(=O)C(O)C(O)c1cc(C)c(OC)cc1C.
What is the InChIKey of ethyl 2,3-dihydroxy-3-(4-methoxy-2,5-dimethylphenyl)propanoate?
The InChIKey is NQWJDESGYYXFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O5/c1-5-19-14(17)13(16)12(15)10-6-9(3)11(18-4)7-8(10)2/h6-7,12-13,15-16H,5H2,1-4H3.
What are the key properties of ethyl 2,3-dihydroxy-3-(4-methoxy-2,5-dimethylphenyl)propanoate?
ethyl 2,3-dihydroxy-3-(4-methoxy-2,5-dimethylphenyl)propanoate has a molecular weight of 268.31 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,3-dihydroxy-3-(4-methoxy-2,5-dimethylphenyl)propanoate is sourced from PubChem (CID 171866438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).