5-[[4-(2-aminophenyl)phenoxy]methyl]furan-2-carboxylic acid

C18H15NO4 — CID 142980114

IUPAC5-[[4-(2-aminophenyl)phenoxy]methyl]furan-2-carboxylic acid
SMILESNc1ccccc1-c1ccc(OCc2ccc(C(=O)O)o2)cc1
InChIInChI=1S/C18H15NO4/c19-16-4-2-1-3-15(16)12-5-7-13(8-6-12)22-11-14-9-10-17(23-14)18(20)21/h1-10H,11,19H2,(H,20,21)
InChIKeyAGULPTZVVOAZOF-UHFFFAOYSA-N
MW309.32 g/mol
LogP3.81
Rot. Bonds5

About 5-[[4-(2-aminophenyl)phenoxy]methyl]furan-2-carboxylic acid

5-[[4-(2-aminophenyl)phenoxy]methyl]furan-2-carboxylic acid (PubChem CID 142980114) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is 5-[[4-(2-aminophenyl)phenoxy]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[4-(2-aminophenyl)phenoxy]methyl]furan-2-carboxylic acid
PubChem CID142980114
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Name5-[[4-(2-aminophenyl)phenoxy]methyl]furan-2-carboxylic acid
SMILESNc1ccccc1-c1ccc(OCc2ccc(C(=O)O)o2)cc1
InChIInChI=1S/C18H15NO4/c19-16-4-2-1-3-15(16)12-5-7-13(8-6-12)22-11-14-9-10-17(23-14)18(20)21/h1-10H,11,19H2,(H,20,21)
InChIKeyAGULPTZVVOAZOF-UHFFFAOYSA-N
XLogP3.81
TPSA85.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(4-methylsulfonylphenoxy)methyl]furan-2-carboxylic acid
CID 43806772
5-[[4-(2,3-dihydro-1H-inden-1-yl)phenoxy]methyl]furan-2-carboxylic acid
CID 10336968
5-[[4-[(2S)-butan-2-yl]phenoxy]methyl]furan-2-carboxylic acid
CID 725859
5-[[4-[(1-amino-2-chloroethylidene)amino]phenoxy]methyl]furan-2-carboxylic acid
CID 169368214
5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxylic acid
CID 725878
N-methyl-5-(phenoxymethyl)furan-2-carboxamide
CID 7678218
5-[(2-iodophenoxy)methyl]furan-2-carboxylic acid
CID 43479555
5-[[4-[(4-methylphenyl)carbamoyl]phenoxy]methyl]furan-2-carboxylic acid
CID 22684918
5-[(4-methylphenoxy)methyl]-N-phenylfuran-2-carboxamide
CID 7454734
3-[[5-[(4-phenylphenoxy)methyl]furan-2-carbonyl]amino]benzoic acid
CID 17386602
5-[(4-ethoxyphenoxy)methyl]furan-2-carbohydrazide
CID 5104781
2-[[5-(phenoxymethyl)furan-2-carbonyl]amino]acetic acid
CID 82043257

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(2-aminophenyl)phenoxy]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[4-(2-aminophenyl)phenoxy]methyl]furan-2-carboxylic acid (CID 142980114) is 5-[[4-(2-aminophenyl)phenoxy]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[4-(2-aminophenyl)phenoxy]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[4-(2-aminophenyl)phenoxy]methyl]furan-2-carboxylic acid is Nc1ccccc1-c1ccc(OCc2ccc(C(=O)O)o2)cc1.
What is the InChIKey of 5-[[4-(2-aminophenyl)phenoxy]methyl]furan-2-carboxylic acid?
The InChIKey is AGULPTZVVOAZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4/c19-16-4-2-1-3-15(16)12-5-7-13(8-6-12)22-11-14-9-10-17(23-14)18(20)21/h1-10H,11,19H2,(H,20,21).
What are the key properties of 5-[[4-(2-aminophenyl)phenoxy]methyl]furan-2-carboxylic acid?
5-[[4-(2-aminophenyl)phenoxy]methyl]furan-2-carboxylic acid has a molecular weight of 309.32 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(2-aminophenyl)phenoxy]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 142980114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).