6-hydroxy-3-(4-methoxyanilino)-2H-1-benzofuran-3-carbonitrile

C16H14N2O3 — CID 60987196

IUPAC6-hydroxy-3-(4-methoxyanilino)-2H-1-benzofuran-3-carbonitrile
SMILESCOc1ccc(NC2(C#N)COc3cc(O)ccc32)cc1
InChIInChI=1S/C16H14N2O3/c1-20-13-5-2-11(3-6-13)18-16(9-17)10-21-15-8-12(19)4-7-14(15)16/h2-8,18-19H,10H2,1H3
InChIKeyWUEKWVTVSRHVLQ-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.62
Rot. Bonds3

About 6-hydroxy-3-(4-methoxyanilino)-2H-1-benzofuran-3-carbonitrile

6-hydroxy-3-(4-methoxyanilino)-2H-1-benzofuran-3-carbonitrile (PubChem CID 60987196) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 6-hydroxy-3-(4-methoxyanilino)-2H-1-benzofuran-3-carbonitrile.

Molecular Properties

Compound Name6-hydroxy-3-(4-methoxyanilino)-2H-1-benzofuran-3-carbonitrile
PubChem CID60987196
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name6-hydroxy-3-(4-methoxyanilino)-2H-1-benzofuran-3-carbonitrile
SMILESCOc1ccc(NC2(C#N)COc3cc(O)ccc32)cc1
InChIInChI=1S/C16H14N2O3/c1-20-13-5-2-11(3-6-13)18-16(9-17)10-21-15-8-12(19)4-7-14(15)16/h2-8,18-19H,10H2,1H3
InChIKeyWUEKWVTVSRHVLQ-UHFFFAOYSA-N
XLogP2.62
TPSA74.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

6-hydroxy-3-(prop-2-ynylamino)-2H-1-benzofuran-3-carbonitrile
CID 62354497
6-hydroxy-3-(2-hydroxyethylamino)-2H-1-benzofuran-3-carbonitrile
CID 62586591
3-(cyclopentylamino)-6-hydroxy-2H-1-benzofuran-3-carbonitrile
CID 54894270
3-(cycloheptylamino)-6-hydroxy-2H-1-benzofuran-3-carbonitrile
CID 60998886
3-amino-6-hydroxy-2H-1-benzofuran-3-carbonitrile
CID 16781636
3-(4-methoxyanilino)thiolane-3-carbonitrile
CID 60988161
4-[[3-(4-methoxyphenyl)oxetan-3-yl]amino]phenol
CID 156620126
8-(4-methoxyanilino)-1,4-dioxaspiro[4.5]decane-8-carbonitrile
CID 60987198
cyanic acid;4-methoxyphenol
CID 172812844
3-cyclopropyl-1-(4-methoxyanilino)cyclohexane-1-carbonitrile
CID 64624840
3-(hydroxymethyl)-3-(2-methylanilino)-2H-1-benzofuran-6-ol
CID 61045887
5-(dimethylamino)-8-methoxy-3,4-dihydro-2H-1-benzoxepine-5-carbonitrile
CID 82244240

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-3-(4-methoxyanilino)-2H-1-benzofuran-3-carbonitrile?
The IUPAC name of 6-hydroxy-3-(4-methoxyanilino)-2H-1-benzofuran-3-carbonitrile (CID 60987196) is 6-hydroxy-3-(4-methoxyanilino)-2H-1-benzofuran-3-carbonitrile.
What is the SMILES notation for 6-hydroxy-3-(4-methoxyanilino)-2H-1-benzofuran-3-carbonitrile?
The canonical SMILES for 6-hydroxy-3-(4-methoxyanilino)-2H-1-benzofuran-3-carbonitrile is COc1ccc(NC2(C#N)COc3cc(O)ccc32)cc1.
What is the InChIKey of 6-hydroxy-3-(4-methoxyanilino)-2H-1-benzofuran-3-carbonitrile?
The InChIKey is WUEKWVTVSRHVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-20-13-5-2-11(3-6-13)18-16(9-17)10-21-15-8-12(19)4-7-14(15)16/h2-8,18-19H,10H2,1H3.
What are the key properties of 6-hydroxy-3-(4-methoxyanilino)-2H-1-benzofuran-3-carbonitrile?
6-hydroxy-3-(4-methoxyanilino)-2H-1-benzofuran-3-carbonitrile has a molecular weight of 282.30 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-3-(4-methoxyanilino)-2H-1-benzofuran-3-carbonitrile is sourced from PubChem (CID 60987196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).