methyl 2-hydroxy-2-(4-methylfuran-3-yl)acetate

C8H10O4 — CID 130900213

IUPACmethyl 2-hydroxy-2-(4-methylfuran-3-yl)acetate
SMILESCOC(=O)C(O)c1cocc1C
InChIInChI=1S/C8H10O4/c1-5-3-12-4-6(5)7(9)8(10)11-2/h3-4,7,9H,1-2H3
InChIKeyUXPDYBBEZCPSTR-UHFFFAOYSA-N
MW170.16 g/mol
LogP0.79
Rot. Bonds2

About methyl 2-hydroxy-2-(4-methylfuran-3-yl)acetate

methyl 2-hydroxy-2-(4-methylfuran-3-yl)acetate (PubChem CID 130900213) has the molecular formula C8H10O4 and a molecular weight of 170.16 g/mol. Its IUPAC name is methyl 2-hydroxy-2-(4-methylfuran-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-(4-methylfuran-3-yl)acetate
PubChem CID130900213
Molecular FormulaC8H10O4
Molecular Weight170.16 g/mol
Exact Mass170.06
IUPAC Namemethyl 2-hydroxy-2-(4-methylfuran-3-yl)acetate
SMILESCOC(=O)C(O)c1cocc1C
InChIInChI=1S/C8H10O4/c1-5-3-12-4-6(5)7(9)8(10)11-2/h3-4,7,9H,1-2H3
InChIKeyUXPDYBBEZCPSTR-UHFFFAOYSA-N
XLogP0.79
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2,3-dimethoxy-4-methylphenyl)-2-hydroxyacetate
CID 117353034
methyl 2-hydroxy-2-(2-hydroxy-4,5-dimethylphenyl)acetate
CID 117300142
methyl 2-hydroxy-2-(3-hydroxy-2,4-dimethylphenyl)acetate
CID 117300134
methyl 2-(4,5-dimethyl-2-methylsulfanylphenyl)-2-hydroxyacetate
CID 117353748
methyl 2-(2-fluoro-3,5-dimethylphenyl)-2-hydroxyacetate
CID 117302719
methyl 2-hydroxy-2-(3,4,5-trimethylphenyl)acetate
CID 117297734
methyl (2S)-2-(4-fluoro-2-methylphenyl)-2-hydroxyacetate
CID 129367520
methyl 2-(5-chloro-2,3-dimethylphenyl)-2-hydroxyacetate
CID 117329439
methyl 2-(2,5-dimethylthiophen-3-yl)-2-hydroxyacetate
CID 62214666
methyl 2-hydroxy-2-(5-methyl-2-morpholin-4-ylphenyl)acetate
CID 117417055
methyl 2-hydroxy-2-(2-methoxy-4-methyl-5-methylsulfanylphenyl)acetate
CID 117394404
ethane;methyl 2-(1,2-dimethylbenzimidazol-4-yl)-2-hydroxyacetate
CID 90870116

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-(4-methylfuran-3-yl)acetate?
The IUPAC name of methyl 2-hydroxy-2-(4-methylfuran-3-yl)acetate (CID 130900213) is methyl 2-hydroxy-2-(4-methylfuran-3-yl)acetate.
What is the SMILES notation for methyl 2-hydroxy-2-(4-methylfuran-3-yl)acetate?
The canonical SMILES for methyl 2-hydroxy-2-(4-methylfuran-3-yl)acetate is COC(=O)C(O)c1cocc1C.
What is the InChIKey of methyl 2-hydroxy-2-(4-methylfuran-3-yl)acetate?
The InChIKey is UXPDYBBEZCPSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O4/c1-5-3-12-4-6(5)7(9)8(10)11-2/h3-4,7,9H,1-2H3.
What are the key properties of methyl 2-hydroxy-2-(4-methylfuran-3-yl)acetate?
methyl 2-hydroxy-2-(4-methylfuran-3-yl)acetate has a molecular weight of 170.16 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-(4-methylfuran-3-yl)acetate is sourced from PubChem (CID 130900213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).