methyl 2-(hydroxymethyl)-1-benzofuran-4-carboxylate

C11H10O4 — CID 131290506

IUPACmethyl 2-(hydroxymethyl)-1-benzofuran-4-carboxylate
SMILESCOC(=O)c1cccc2oc(CO)cc12
InChIInChI=1S/C11H10O4/c1-14-11(13)8-3-2-4-10-9(8)5-7(6-12)15-10/h2-5,12H,6H2,1H3
InChIKeyGKEWVRHNVYIAIL-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.71
Rot. Bonds2

About methyl 2-(hydroxymethyl)-1-benzofuran-4-carboxylate

methyl 2-(hydroxymethyl)-1-benzofuran-4-carboxylate (PubChem CID 131290506) has the molecular formula C11H10O4 and a molecular weight of 206.20 g/mol. Its IUPAC name is methyl 2-(hydroxymethyl)-1-benzofuran-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(hydroxymethyl)-1-benzofuran-4-carboxylate
PubChem CID131290506
Molecular FormulaC11H10O4
Molecular Weight206.20 g/mol
Exact Mass206.06
IUPAC Namemethyl 2-(hydroxymethyl)-1-benzofuran-4-carboxylate
SMILESCOC(=O)c1cccc2oc(CO)cc12
InChIInChI=1S/C11H10O4/c1-14-11(13)8-3-2-4-10-9(8)5-7(6-12)15-10/h2-5,12H,6H2,1H3
InChIKeyGKEWVRHNVYIAIL-UHFFFAOYSA-N
XLogP1.71
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(hydroxymethyl)-1-benzofuran-4-carboxylate?
The IUPAC name of methyl 2-(hydroxymethyl)-1-benzofuran-4-carboxylate (CID 131290506) is methyl 2-(hydroxymethyl)-1-benzofuran-4-carboxylate.
What is the SMILES notation for methyl 2-(hydroxymethyl)-1-benzofuran-4-carboxylate?
The canonical SMILES for methyl 2-(hydroxymethyl)-1-benzofuran-4-carboxylate is COC(=O)c1cccc2oc(CO)cc12.
What is the InChIKey of methyl 2-(hydroxymethyl)-1-benzofuran-4-carboxylate?
The InChIKey is GKEWVRHNVYIAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O4/c1-14-11(13)8-3-2-4-10-9(8)5-7(6-12)15-10/h2-5,12H,6H2,1H3.
What are the key properties of methyl 2-(hydroxymethyl)-1-benzofuran-4-carboxylate?
methyl 2-(hydroxymethyl)-1-benzofuran-4-carboxylate has a molecular weight of 206.20 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(hydroxymethyl)-1-benzofuran-4-carboxylate is sourced from PubChem (CID 131290506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).