2-(furan-2-yl)-2-hydroxyacetate

C6H5O4- — CID 4549959

IUPAC2-(furan-2-yl)-2-hydroxyacetate
SMILESO=C([O-])C(O)c1ccco1
InChIInChI=1S/C6H6O4/c7-5(6(8)9)4-2-1-3-10-4/h1-3,5,7H,(H,8,9)/p-1
InChIKeyRTLDJXGEOSVJEX-UHFFFAOYSA-M
MW141.10 g/mol
LogP-0.94
Rot. Bonds2

About 2-(furan-2-yl)-2-hydroxyacetate

2-(furan-2-yl)-2-hydroxyacetate (PubChem CID 4549959) has the molecular formula C6H5O4- and a molecular weight of 141.10 g/mol. Its IUPAC name is 2-(furan-2-yl)-2-hydroxyacetate.

Molecular Properties

Compound Name2-(furan-2-yl)-2-hydroxyacetate
PubChem CID4549959
Molecular FormulaC6H5O4-
Molecular Weight141.10 g/mol
Exact Mass141.02
IUPAC Name2-(furan-2-yl)-2-hydroxyacetate
SMILESO=C([O-])C(O)c1ccco1
InChIInChI=1S/C6H6O4/c7-5(6(8)9)4-2-1-3-10-4/h1-3,5,7H,(H,8,9)/p-1
InChIKeyRTLDJXGEOSVJEX-UHFFFAOYSA-M
XLogP-0.94
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.10
LogP ≤ 5-0.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-bis(furan-2-yl)but-2-yne-1,4-diol
CID 565624
methyl 2-[(S)-furan-2-yl(hydroxy)methyl]prop-2-enoate
CID 28595486
2-(furan-2-yl)propanedioic acid
CID 19790856
(3R)-3-azaniumyl-3-(furan-2-yl)propanoate
CID 7145288
1,3-bis(furan-2-yl)propane-1,2,3-triol
CID 70525722
(3S)-3-(furan-2-yl)-3-hydroxypropanoic acid
CID 69050344
3-(furan-2-yl)pentane-2,4-dione
CID 12548240
2,2-bis(furan-2-yl)acetyl chloride
CID 87723454
(3R)-3-(furan-2-yl)-4-methylpentanoate
CID 7258657
5-[furan-2-yl(hydroxy)methyl]furan-2-carboxylic acid
CID 106945911
4-(furan-2-yl)-4-hydroxy-3-methylbutan-2-one
CID 14223499
ethyl 2-[furan-2-yl(hydroxy)methyl]prop-2-enoate
CID 10750378

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-2-hydroxyacetate?
The IUPAC name of 2-(furan-2-yl)-2-hydroxyacetate (CID 4549959) is 2-(furan-2-yl)-2-hydroxyacetate.
What is the SMILES notation for 2-(furan-2-yl)-2-hydroxyacetate?
The canonical SMILES for 2-(furan-2-yl)-2-hydroxyacetate is O=C([O-])C(O)c1ccco1.
What is the InChIKey of 2-(furan-2-yl)-2-hydroxyacetate?
The InChIKey is RTLDJXGEOSVJEX-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H6O4/c7-5(6(8)9)4-2-1-3-10-4/h1-3,5,7H,(H,8,9)/p-1.
What are the key properties of 2-(furan-2-yl)-2-hydroxyacetate?
2-(furan-2-yl)-2-hydroxyacetate has a molecular weight of 141.10 g/mol, XLogP of -0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-2-hydroxyacetate is sourced from PubChem (CID 4549959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).