ethyl 2,3-dihydroxy-3-(4-hydroxy-2-methoxyphenyl)propanoate

C12H16O6 — CID 171865971

IUPACethyl 2,3-dihydroxy-3-(4-hydroxy-2-methoxyphenyl)propanoate
SMILESCCOC(=O)C(O)C(O)c1ccc(O)cc1OC
InChIInChI=1S/C12H16O6/c1-3-18-12(16)11(15)10(14)8-5-4-7(13)6-9(8)17-2/h4-6,10-11,13-15H,3H2,1-2H3
InChIKeyFUQXIRBBJMAXOS-UHFFFAOYSA-N
MW256.25 g/mol
LogP0.36
Rot. Bonds5

About ethyl 2,3-dihydroxy-3-(4-hydroxy-2-methoxyphenyl)propanoate

ethyl 2,3-dihydroxy-3-(4-hydroxy-2-methoxyphenyl)propanoate (PubChem CID 171865971) has the molecular formula C12H16O6 and a molecular weight of 256.25 g/mol. Its IUPAC name is ethyl 2,3-dihydroxy-3-(4-hydroxy-2-methoxyphenyl)propanoate.

Molecular Properties

Compound Nameethyl 2,3-dihydroxy-3-(4-hydroxy-2-methoxyphenyl)propanoate
PubChem CID171865971
Molecular FormulaC12H16O6
Molecular Weight256.25 g/mol
Exact Mass256.09
IUPAC Nameethyl 2,3-dihydroxy-3-(4-hydroxy-2-methoxyphenyl)propanoate
SMILESCCOC(=O)C(O)C(O)c1ccc(O)cc1OC
InChIInChI=1S/C12H16O6/c1-3-18-12(16)11(15)10(14)8-5-4-7(13)6-9(8)17-2/h4-6,10-11,13-15H,3H2,1-2H3
InChIKeyFUQXIRBBJMAXOS-UHFFFAOYSA-N
XLogP0.36
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.25
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)-3-methoxybenzoate
CID 171866986
ethyl 3-(2-bromo-5-hydroxyphenyl)-2,3-dihydroxypropanoate
CID 171867406
ethyl 2,3-dihydroxy-3-(2-hydroxy-3-methoxyphenyl)propanoate
CID 171865973
ethyl 2,3-dihydroxy-3-(4-methoxy-2,5-dimethylphenyl)propanoate
CID 171866438
ethyl 2-(5-hydroxy-2-methoxyphenyl)propanoate
CID 105481737
ethyl 2,3-dihydroxy-3-(4-methoxy-3-pyridinyl)propanoate
CID 171865897
ethyl 3-(3,4-dimethoxyphenyl)-2,3-dihydroxypropanoate
CID 74828202
ethyl 2,3-dihydroxy-3-(4-hydroxyphenyl)propanoate
CID 171865553
ethyl (3S)-3-amino-2,2-difluoro-3-(4-hydroxy-2-methoxyphenyl)propanoate
CID 171246553
ethyl 3-(2,4-dimethylphenyl)-2,3-dihydroxypropanoate
CID 171865672
4-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)-3-hydroxybenzoic acid
CID 171866460
ethyl 3-[2-(difluoromethoxy)-4-fluorophenyl]-2,3-dihydroxypropanoate
CID 171866682

Frequently Asked Questions

What is the IUPAC name of ethyl 2,3-dihydroxy-3-(4-hydroxy-2-methoxyphenyl)propanoate?
The IUPAC name of ethyl 2,3-dihydroxy-3-(4-hydroxy-2-methoxyphenyl)propanoate (CID 171865971) is ethyl 2,3-dihydroxy-3-(4-hydroxy-2-methoxyphenyl)propanoate.
What is the SMILES notation for ethyl 2,3-dihydroxy-3-(4-hydroxy-2-methoxyphenyl)propanoate?
The canonical SMILES for ethyl 2,3-dihydroxy-3-(4-hydroxy-2-methoxyphenyl)propanoate is CCOC(=O)C(O)C(O)c1ccc(O)cc1OC.
What is the InChIKey of ethyl 2,3-dihydroxy-3-(4-hydroxy-2-methoxyphenyl)propanoate?
The InChIKey is FUQXIRBBJMAXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O6/c1-3-18-12(16)11(15)10(14)8-5-4-7(13)6-9(8)17-2/h4-6,10-11,13-15H,3H2,1-2H3.
What are the key properties of ethyl 2,3-dihydroxy-3-(4-hydroxy-2-methoxyphenyl)propanoate?
ethyl 2,3-dihydroxy-3-(4-hydroxy-2-methoxyphenyl)propanoate has a molecular weight of 256.25 g/mol, XLogP of 0.36, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,3-dihydroxy-3-(4-hydroxy-2-methoxyphenyl)propanoate is sourced from PubChem (CID 171865971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).