methyl 2-[2-(furan-3-carbonyl)-3,5-dihydroxyphenyl]acetate

C14H12O6 — CID 150964612

IUPACmethyl 2-[2-(furan-3-carbonyl)-3,5-dihydroxyphenyl]acetate
SMILESCOC(=O)Cc1cc(O)cc(O)c1C(=O)c1ccoc1
InChIInChI=1S/C14H12O6/c1-19-12(17)5-9-4-10(15)6-11(16)13(9)14(18)8-2-3-20-7-8/h2-4,6-7,15-16H,5H2,1H3
InChIKeyLMUUTDNNZGQXLU-UHFFFAOYSA-N
MW276.24 g/mol
LogP1.64
Rot. Bonds4

About methyl 2-[2-(furan-3-carbonyl)-3,5-dihydroxyphenyl]acetate

methyl 2-[2-(furan-3-carbonyl)-3,5-dihydroxyphenyl]acetate (PubChem CID 150964612) has the molecular formula C14H12O6 and a molecular weight of 276.24 g/mol. Its IUPAC name is methyl 2-[2-(furan-3-carbonyl)-3,5-dihydroxyphenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(furan-3-carbonyl)-3,5-dihydroxyphenyl]acetate
PubChem CID150964612
Molecular FormulaC14H12O6
Molecular Weight276.24 g/mol
Exact Mass276.06
IUPAC Namemethyl 2-[2-(furan-3-carbonyl)-3,5-dihydroxyphenyl]acetate
SMILESCOC(=O)Cc1cc(O)cc(O)c1C(=O)c1ccoc1
InChIInChI=1S/C14H12O6/c1-19-12(17)5-9-4-10(15)6-11(16)13(9)14(18)8-2-3-20-7-8/h2-4,6-7,15-16H,5H2,1H3
InChIKeyLMUUTDNNZGQXLU-UHFFFAOYSA-N
XLogP1.64
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.24
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(furan-3-carbonyl)-3,5-dihydroxyphenyl]acetate?
The IUPAC name of methyl 2-[2-(furan-3-carbonyl)-3,5-dihydroxyphenyl]acetate (CID 150964612) is methyl 2-[2-(furan-3-carbonyl)-3,5-dihydroxyphenyl]acetate.
What is the SMILES notation for methyl 2-[2-(furan-3-carbonyl)-3,5-dihydroxyphenyl]acetate?
The canonical SMILES for methyl 2-[2-(furan-3-carbonyl)-3,5-dihydroxyphenyl]acetate is COC(=O)Cc1cc(O)cc(O)c1C(=O)c1ccoc1.
What is the InChIKey of methyl 2-[2-(furan-3-carbonyl)-3,5-dihydroxyphenyl]acetate?
The InChIKey is LMUUTDNNZGQXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O6/c1-19-12(17)5-9-4-10(15)6-11(16)13(9)14(18)8-2-3-20-7-8/h2-4,6-7,15-16H,5H2,1H3.
What are the key properties of methyl 2-[2-(furan-3-carbonyl)-3,5-dihydroxyphenyl]acetate?
methyl 2-[2-(furan-3-carbonyl)-3,5-dihydroxyphenyl]acetate has a molecular weight of 276.24 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(furan-3-carbonyl)-3,5-dihydroxyphenyl]acetate is sourced from PubChem (CID 150964612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).