methyl 5-(methoxymethyl)furan-2-carboxylate

C8H10O4 — CID 4193918

IUPACmethyl 5-(methoxymethyl)furan-2-carboxylate
SMILESCOCc1ccc(C(=O)OC)o1
InChIInChI=1S/C8H10O4/c1-10-5-6-3-4-7(12-6)8(9)11-2/h3-4H,5H2,1-2H3
InChIKeyGXYHQVZORYVUOP-UHFFFAOYSA-N
MW170.16 g/mol
LogP1.21
Rot. Bonds3

About methyl 5-(methoxymethyl)furan-2-carboxylate

methyl 5-(methoxymethyl)furan-2-carboxylate (PubChem CID 4193918) has the molecular formula C8H10O4 and a molecular weight of 170.16 g/mol. Its IUPAC name is methyl 5-(methoxymethyl)furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(methoxymethyl)furan-2-carboxylate
PubChem CID4193918
Molecular FormulaC8H10O4
Molecular Weight170.16 g/mol
Exact Mass170.06
IUPAC Namemethyl 5-(methoxymethyl)furan-2-carboxylate
SMILESCOCc1ccc(C(=O)OC)o1
InChIInChI=1S/C8H10O4/c1-10-5-6-3-4-7(12-6)8(9)11-2/h3-4H,5H2,1-2H3
InChIKeyGXYHQVZORYVUOP-UHFFFAOYSA-N
XLogP1.21
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(methoxymethyl)furan-2-carboxylate?
The IUPAC name of methyl 5-(methoxymethyl)furan-2-carboxylate (CID 4193918) is methyl 5-(methoxymethyl)furan-2-carboxylate.
What is the SMILES notation for methyl 5-(methoxymethyl)furan-2-carboxylate?
The canonical SMILES for methyl 5-(methoxymethyl)furan-2-carboxylate is COCc1ccc(C(=O)OC)o1.
What is the InChIKey of methyl 5-(methoxymethyl)furan-2-carboxylate?
The InChIKey is GXYHQVZORYVUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O4/c1-10-5-6-3-4-7(12-6)8(9)11-2/h3-4H,5H2,1-2H3.
What are the key properties of methyl 5-(methoxymethyl)furan-2-carboxylate?
methyl 5-(methoxymethyl)furan-2-carboxylate has a molecular weight of 170.16 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(methoxymethyl)furan-2-carboxylate is sourced from PubChem (CID 4193918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).