methyl 3-(2-amino-4-hydroxy-5-phenylfuran-3-yl)benzoate

C18H15NO4 — CID 54314926

IUPACmethyl 3-(2-amino-4-hydroxy-5-phenylfuran-3-yl)benzoate
SMILESCOC(=O)c1cccc(-c2c(N)oc(-c3ccccc3)c2O)c1
InChIInChI=1S/C18H15NO4/c1-22-18(21)13-9-5-8-12(10-13)14-15(20)16(23-17(14)19)11-6-3-2-4-7-11/h2-10,20H,19H2,1H3
InChIKeySNMWRLYRWWBDAD-UHFFFAOYSA-N
MW309.32 g/mol
LogP3.69
Rot. Bonds3

About methyl 3-(2-amino-4-hydroxy-5-phenylfuran-3-yl)benzoate

methyl 3-(2-amino-4-hydroxy-5-phenylfuran-3-yl)benzoate (PubChem CID 54314926) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is methyl 3-(2-amino-4-hydroxy-5-phenylfuran-3-yl)benzoate.

Molecular Properties

Compound Namemethyl 3-(2-amino-4-hydroxy-5-phenylfuran-3-yl)benzoate
PubChem CID54314926
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Namemethyl 3-(2-amino-4-hydroxy-5-phenylfuran-3-yl)benzoate
SMILESCOC(=O)c1cccc(-c2c(N)oc(-c3ccccc3)c2O)c1
InChIInChI=1S/C18H15NO4/c1-22-18(21)13-9-5-8-12(10-13)14-15(20)16(23-17(14)19)11-6-3-2-4-7-11/h2-10,20H,19H2,1H3
InChIKeySNMWRLYRWWBDAD-UHFFFAOYSA-N
XLogP3.69
TPSA85.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 3-(2-amino-4-hydroxy-5-phenylfuran-3-yl)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-(2-methyl-6-sulfanylphenyl)benzoate
CID 174321079
methyl 3-(4-aminofuran-3-yl)benzoate
CID 134284368
methyl 3-(3-formyl-4-hydroxy-5-methoxyphenyl)benzoate
CID 59599794
methyl 3-(3,5-dimethyl-1,2-oxazol-4-yl)benzoate
CID 101483431
CID 70265363
CID 70265363
CID 159558349
CID 159558349
methyl 3-(2-amino-4-pyridinyl)benzoate
CID 82556028
methyl 3-(6-aminopyridazin-3-yl)benzoate
CID 86682701
methyl 3-pyrimidin-2-ylbenzoate
CID 69487031
methyl 3-[2-(3-methoxycarbonylphenyl)-3,4-dimethylidenecyclobuten-1-yl]benzoate
CID 164887686
methyl 2-bromo-3-[4-hydroxy-2-(methylamino)-5-phenylfuran-3-yl]benzoate
CID 54121663
methyl 3-(3-formylfuran-2-yl)benzoate
CID 87990777

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-amino-4-hydroxy-5-phenylfuran-3-yl)benzoate?
The IUPAC name of methyl 3-(2-amino-4-hydroxy-5-phenylfuran-3-yl)benzoate (CID 54314926) is methyl 3-(2-amino-4-hydroxy-5-phenylfuran-3-yl)benzoate.
What is the SMILES notation for methyl 3-(2-amino-4-hydroxy-5-phenylfuran-3-yl)benzoate?
The canonical SMILES for methyl 3-(2-amino-4-hydroxy-5-phenylfuran-3-yl)benzoate is COC(=O)c1cccc(-c2c(N)oc(-c3ccccc3)c2O)c1.
What is the InChIKey of methyl 3-(2-amino-4-hydroxy-5-phenylfuran-3-yl)benzoate?
The InChIKey is SNMWRLYRWWBDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4/c1-22-18(21)13-9-5-8-12(10-13)14-15(20)16(23-17(14)19)11-6-3-2-4-7-11/h2-10,20H,19H2,1H3.
What are the key properties of methyl 3-(2-amino-4-hydroxy-5-phenylfuran-3-yl)benzoate?
methyl 3-(2-amino-4-hydroxy-5-phenylfuran-3-yl)benzoate has a molecular weight of 309.32 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-amino-4-hydroxy-5-phenylfuran-3-yl)benzoate is sourced from PubChem (CID 54314926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).