2-[(furan-2-ylmethylamino)methyl]-6-methoxyphenol;oxalic acid

C15H17NO7 — CID 23724410

IUPAC2-[(furan-2-ylmethylamino)methyl]-6-methoxyphenol;oxalic acid
SMILESCOc1cccc(CNCc2ccco2)c1O.O=C(O)C(=O)O
InChIInChI=1S/C13H15NO3.C2H2O4/c1-16-12-6-2-4-10(13(12)15)8-14-9-11-5-3-7-17-11;3-1(4)2(5)6/h2-7,14-15H,8-9H2,1H3;(H,3,4)(H,5,6)
InChIKeyBEUAHVUXELBMCV-UHFFFAOYSA-N
MW323.30 g/mol
LogP1.44
Rot. Bonds5

About 2-[(furan-2-ylmethylamino)methyl]-6-methoxyphenol;oxalic acid

2-[(furan-2-ylmethylamino)methyl]-6-methoxyphenol;oxalic acid (PubChem CID 23724410) has the molecular formula C15H17NO7 and a molecular weight of 323.30 g/mol. Its IUPAC name is 2-[(furan-2-ylmethylamino)methyl]-6-methoxyphenol;oxalic acid.

Molecular Properties

Compound Name2-[(furan-2-ylmethylamino)methyl]-6-methoxyphenol;oxalic acid
PubChem CID23724410
Molecular FormulaC15H17NO7
Molecular Weight323.30 g/mol
Exact Mass323.10
IUPAC Name2-[(furan-2-ylmethylamino)methyl]-6-methoxyphenol;oxalic acid
SMILESCOc1cccc(CNCc2ccco2)c1O.O=C(O)C(=O)O
InChIInChI=1S/C13H15NO3.C2H2O4/c1-16-12-6-2-4-10(13(12)15)8-14-9-11-5-3-7-17-11;3-1(4)2(5)6/h2-7,14-15H,8-9H2,1H3;(H,3,4)(H,5,6)
InChIKeyBEUAHVUXELBMCV-UHFFFAOYSA-N
XLogP1.44
TPSA129.23 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.30
LogP ≤ 51.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(furan-2-ylmethylamino)methyl]-6-methoxyphenol;oxalic acid?
The IUPAC name of 2-[(furan-2-ylmethylamino)methyl]-6-methoxyphenol;oxalic acid (CID 23724410) is 2-[(furan-2-ylmethylamino)methyl]-6-methoxyphenol;oxalic acid.
What is the SMILES notation for 2-[(furan-2-ylmethylamino)methyl]-6-methoxyphenol;oxalic acid?
The canonical SMILES for 2-[(furan-2-ylmethylamino)methyl]-6-methoxyphenol;oxalic acid is COc1cccc(CNCc2ccco2)c1O.O=C(O)C(=O)O.
What is the InChIKey of 2-[(furan-2-ylmethylamino)methyl]-6-methoxyphenol;oxalic acid?
The InChIKey is BEUAHVUXELBMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3.C2H2O4/c1-16-12-6-2-4-10(13(12)15)8-14-9-11-5-3-7-17-11;3-1(4)2(5)6/h2-7,14-15H,8-9H2,1H3;(H,3,4)(H,5,6).
What are the key properties of 2-[(furan-2-ylmethylamino)methyl]-6-methoxyphenol;oxalic acid?
2-[(furan-2-ylmethylamino)methyl]-6-methoxyphenol;oxalic acid has a molecular weight of 323.30 g/mol, XLogP of 1.44, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(furan-2-ylmethylamino)methyl]-6-methoxyphenol;oxalic acid is sourced from PubChem (CID 23724410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).