furan-2-ylmethyl 2-methoxyacetate

C8H10O4 — CID 134852986

IUPACfuran-2-ylmethyl 2-methoxyacetate
SMILESCOCC(=O)OCc1ccco1
InChIInChI=1S/C8H10O4/c1-10-6-8(9)12-5-7-3-2-4-11-7/h2-4H,5-6H2,1H3
InChIKeyZDERSFIKXGAFQG-UHFFFAOYSA-N
MW170.16 g/mol
LogP0.97
Rot. Bonds4

About furan-2-ylmethyl 2-methoxyacetate

furan-2-ylmethyl 2-methoxyacetate (PubChem CID 134852986) has the molecular formula C8H10O4 and a molecular weight of 170.16 g/mol. Its IUPAC name is furan-2-ylmethyl 2-methoxyacetate.

Molecular Properties

Compound Namefuran-2-ylmethyl 2-methoxyacetate
PubChem CID134852986
Molecular FormulaC8H10O4
Molecular Weight170.16 g/mol
Exact Mass170.06
IUPAC Namefuran-2-ylmethyl 2-methoxyacetate
SMILESCOCC(=O)OCc1ccco1
InChIInChI=1S/C8H10O4/c1-10-6-8(9)12-5-7-3-2-4-11-7/h2-4H,5-6H2,1H3
InChIKeyZDERSFIKXGAFQG-UHFFFAOYSA-N
XLogP0.97
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

furan-2-ylmethyl 2-(methylamino)acetate
CID 70320956
furan-2-ylmethyl 2-acetylsulfanylacetate
CID 139696753
furan-2-ylmethyl 5-hydroxy-4-oxopentanoate
CID 174653423
4-O-[3-[4-(furan-2-ylmethoxy)-4-oxobutanoyl]oxy-2,2-bis[[4-(furan-2-ylmethoxy)-4-oxobutanoyl]oxymethyl]propyl] 1-O-(furan-2-ylmethyl) butanedioate
CID 101447383
furan-2-ylmethyl 4-sulfanylbutanoate
CID 89395798
furan-2-ylmethyl 4-(methoxycarbonylamino)butanoate
CID 164839099
ethane;2-(methoxymethyl)furan
CID 143640700
furan-2-ylmethyl prop-2-enoate;hydron
CID 174819627
furan-2-ylmethyl pent-2-enoate
CID 140682231
methyl 3-(furan-2-ylmethoxy)-2,2-dimethylpropanoate
CID 79622612
furan-2-ylmethyl 4-(4-chlorophenyl)-4-oxobutanoate
CID 174830614
(2-oxo-2-phenylmethoxyethyl) 2-methoxyacetate
CID 20645227

Frequently Asked Questions

What is the IUPAC name of furan-2-ylmethyl 2-methoxyacetate?
The IUPAC name of furan-2-ylmethyl 2-methoxyacetate (CID 134852986) is furan-2-ylmethyl 2-methoxyacetate.
What is the SMILES notation for furan-2-ylmethyl 2-methoxyacetate?
The canonical SMILES for furan-2-ylmethyl 2-methoxyacetate is COCC(=O)OCc1ccco1.
What is the InChIKey of furan-2-ylmethyl 2-methoxyacetate?
The InChIKey is ZDERSFIKXGAFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O4/c1-10-6-8(9)12-5-7-3-2-4-11-7/h2-4H,5-6H2,1H3.
What are the key properties of furan-2-ylmethyl 2-methoxyacetate?
furan-2-ylmethyl 2-methoxyacetate has a molecular weight of 170.16 g/mol, XLogP of 0.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-ylmethyl 2-methoxyacetate is sourced from PubChem (CID 134852986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).