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

C14H20O5 — CID 171866441

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

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

ethyl 2,3-dihydroxy-3-(4-methoxy-3,5-dimethylphenyl)propanoate (PubChem CID 171866441) 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-3,5-dimethylphenyl)propanoate.

Molecular Properties

Compound Nameethyl 2,3-dihydroxy-3-(4-methoxy-3,5-dimethylphenyl)propanoate
PubChem CID171866441
Molecular FormulaC14H20O5
Molecular Weight268.31 g/mol
Exact Mass268.13
IUPAC Nameethyl 2,3-dihydroxy-3-(4-methoxy-3,5-dimethylphenyl)propanoate
SMILESCCOC(=O)C(O)C(O)c1cc(C)c(OC)c(C)c1
InChIInChI=1S/C14H20O5/c1-5-19-14(17)12(16)11(15)10-6-8(2)13(18-4)9(3)7-10/h6-7,11-12,15-16H,5H2,1-4H3
InChIKeyMRVYVPJZDLNCQB-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-3-methylphenyl)propanoate
CID 171865724
ethyl 3-(3,4-dimethoxyphenyl)-2,3-dihydroxypropanoate
CID 74828202
ethyl 2,3-dihydroxy-3-(3-hydroxy-5-methylphenyl)propanoate
CID 171865738
ethyl 2,3-dihydroxy-3-(2-methoxypyrimidin-5-yl)propanoate
CID 171865797
2-amino-1-(4-methoxy-3,5-dimethylphenyl)propan-1-ol
CID 82395059
2-[5-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)-2-methoxyphenyl]acetic acid
CID 171866985
(1S)-1-(4-methoxy-3,5-dimethylphenyl)butan-1-ol
CID 97293367
ethyl 2,3-dihydroxy-3-(4-methoxy-2,5-dimethylphenyl)propanoate
CID 171866438
ethyl 3-(3-fluoro-4-methoxyphenyl)-2,3-dihydroxypropanoate
CID 171865985
ethyl 3-(4-bromo-3-methoxyphenyl)-2,3-dihydroxypropanoate
CID 171867216
ethyl 3-(4-aminophenyl)-2,3-dihydroxypropanoate
CID 171865608
ethyl 2,3-dihydroxy-3-(4-hydroxyphenyl)propanoate
CID 171865553

Frequently Asked Questions

What is the IUPAC name of ethyl 2,3-dihydroxy-3-(4-methoxy-3,5-dimethylphenyl)propanoate?
The IUPAC name of ethyl 2,3-dihydroxy-3-(4-methoxy-3,5-dimethylphenyl)propanoate (CID 171866441) is ethyl 2,3-dihydroxy-3-(4-methoxy-3,5-dimethylphenyl)propanoate.
What is the SMILES notation for ethyl 2,3-dihydroxy-3-(4-methoxy-3,5-dimethylphenyl)propanoate?
The canonical SMILES for ethyl 2,3-dihydroxy-3-(4-methoxy-3,5-dimethylphenyl)propanoate is CCOC(=O)C(O)C(O)c1cc(C)c(OC)c(C)c1.
What is the InChIKey of ethyl 2,3-dihydroxy-3-(4-methoxy-3,5-dimethylphenyl)propanoate?
The InChIKey is MRVYVPJZDLNCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O5/c1-5-19-14(17)12(16)11(15)10-6-8(2)13(18-4)9(3)7-10/h6-7,11-12,15-16H,5H2,1-4H3.
What are the key properties of ethyl 2,3-dihydroxy-3-(4-methoxy-3,5-dimethylphenyl)propanoate?
ethyl 2,3-dihydroxy-3-(4-methoxy-3,5-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-3,5-dimethylphenyl)propanoate is sourced from PubChem (CID 171866441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).