methyl 5-[(4-hydroxy-2-methylanilino)methyl]furan-3-carboxylate

C14H15NO4 — CID 104608982

IUPACmethyl 5-[(4-hydroxy-2-methylanilino)methyl]furan-3-carboxylate
SMILESCOC(=O)c1coc(CNc2ccc(O)cc2C)c1
InChIInChI=1S/C14H15NO4/c1-9-5-11(16)3-4-13(9)15-7-12-6-10(8-19-12)14(17)18-2/h3-6,8,15-16H,7H2,1-2H3
InChIKeyUHKUIAHLHGANOG-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.69
Rot. Bonds4

About methyl 5-[(4-hydroxy-2-methylanilino)methyl]furan-3-carboxylate

methyl 5-[(4-hydroxy-2-methylanilino)methyl]furan-3-carboxylate (PubChem CID 104608982) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is methyl 5-[(4-hydroxy-2-methylanilino)methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(4-hydroxy-2-methylanilino)methyl]furan-3-carboxylate
PubChem CID104608982
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Namemethyl 5-[(4-hydroxy-2-methylanilino)methyl]furan-3-carboxylate
SMILESCOC(=O)c1coc(CNc2ccc(O)cc2C)c1
InChIInChI=1S/C14H15NO4/c1-9-5-11(16)3-4-13(9)15-7-12-6-10(8-19-12)14(17)18-2/h3-6,8,15-16H,7H2,1-2H3
InChIKeyUHKUIAHLHGANOG-UHFFFAOYSA-N
XLogP2.69
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

methyl 5-[(2-chloro-4-fluoroanilino)methyl]furan-3-carboxylate
CID 104608171
methyl 5-[(2-ethylanilino)methyl]furan-3-carboxylate
CID 104585593
methyl 5-[(2-fluoroanilino)methyl]furan-3-carboxylate
CID 104585655
methyl 5-[(2-bromo-4-chloroanilino)methyl]furan-3-carboxylate
CID 104609130
methyl 5-[(3-fluoro-2-methylanilino)methyl]furan-3-carboxylate
CID 104585702
5-[(4-iodo-2-methylanilino)methyl]furan-3-carboxylic acid
CID 113432465
methyl 5-[(2-fluoro-5-methoxyanilino)methyl]furan-3-carboxylate
CID 104585663
methyl 5-[(2,3,5,6-tetrafluoroanilino)methyl]furan-3-carboxylate
CID 107644134
4-[(4-methoxycarbonylfuran-2-yl)methylamino]benzoic acid
CID 104608179
methyl 5-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]furan-3-carboxylate
CID 113434214
5-[(2-methoxy-4-methylanilino)methyl]furan-3-carboxylic acid
CID 104608703
5-[(2-methoxycarbonylanilino)methyl]furan-3-carboxylic acid
CID 104608185

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(4-hydroxy-2-methylanilino)methyl]furan-3-carboxylate?
The IUPAC name of methyl 5-[(4-hydroxy-2-methylanilino)methyl]furan-3-carboxylate (CID 104608982) is methyl 5-[(4-hydroxy-2-methylanilino)methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 5-[(4-hydroxy-2-methylanilino)methyl]furan-3-carboxylate?
The canonical SMILES for methyl 5-[(4-hydroxy-2-methylanilino)methyl]furan-3-carboxylate is COC(=O)c1coc(CNc2ccc(O)cc2C)c1.
What is the InChIKey of methyl 5-[(4-hydroxy-2-methylanilino)methyl]furan-3-carboxylate?
The InChIKey is UHKUIAHLHGANOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-9-5-11(16)3-4-13(9)15-7-12-6-10(8-19-12)14(17)18-2/h3-6,8,15-16H,7H2,1-2H3.
What are the key properties of methyl 5-[(4-hydroxy-2-methylanilino)methyl]furan-3-carboxylate?
methyl 5-[(4-hydroxy-2-methylanilino)methyl]furan-3-carboxylate has a molecular weight of 261.28 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(4-hydroxy-2-methylanilino)methyl]furan-3-carboxylate is sourced from PubChem (CID 104608982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).