2-[2-(4-aminophenyl)ethenyl]-1-benzofuran-5-ol

C16H13NO2 — CID 67169332

IUPAC2-[2-(4-aminophenyl)ethenyl]-1-benzofuran-5-ol
SMILESNc1ccc(C=Cc2cc3cc(O)ccc3o2)cc1
InChIInChI=1S/C16H13NO2/c17-13-4-1-11(2-5-13)3-7-15-10-12-9-14(18)6-8-16(12)19-15/h1-10,18H,17H2
InChIKeyOPHAAUPEGGEPPB-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.89
Rot. Bonds2

About 2-[2-(4-aminophenyl)ethenyl]-1-benzofuran-5-ol

2-[2-(4-aminophenyl)ethenyl]-1-benzofuran-5-ol (PubChem CID 67169332) has the molecular formula C16H13NO2 and a molecular weight of 251.28 g/mol. Its IUPAC name is 2-[2-(4-aminophenyl)ethenyl]-1-benzofuran-5-ol.

Molecular Properties

Compound Name2-[2-(4-aminophenyl)ethenyl]-1-benzofuran-5-ol
PubChem CID67169332
Molecular FormulaC16H13NO2
Molecular Weight251.28 g/mol
Exact Mass251.09
IUPAC Name2-[2-(4-aminophenyl)ethenyl]-1-benzofuran-5-ol
SMILESNc1ccc(C=Cc2cc3cc(O)ccc3o2)cc1
InChIInChI=1S/C16H13NO2/c17-13-4-1-11(2-5-13)3-7-15-10-12-9-14(18)6-8-16(12)19-15/h1-10,18H,17H2
InChIKeyOPHAAUPEGGEPPB-UHFFFAOYSA-N
XLogP3.89
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(Z)-2-(4-aminophenyl)ethenyl]phenol
CID 25021233
2-[2-[4-(hydroxymethyl)phenyl]ethenyl]-1-benzofuran-5-carbonitrile
CID 54093245
5-bromo-2-[2-(5-bromo-1-benzofuran-2-yl)ethenyl]-1-benzofuran
CID 70167024
4-[2-(5-iodo-1-benzofuran-2-yl)ethenyl]-N-methylaniline
CID 67167248
5-[(Z)-2-(4-aminophenyl)ethenyl]benzene-1,3-diamine;5-[(Z)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol
CID 163701124
2-[2-[4-(dimethylamino)phenyl]ethenyl]-6-hydroxychromen-4-one
CID 69269215
2-[(E)-2-(4-hydroxyphenyl)ethenyl]chromen-4-one
CID 6479061
2-[2-(3,4-dimethoxyphenyl)ethenyl]-5-methyl-1-benzofuran
CID 67169595
2-[(1E,3E,5E)-6-(4-carbamimidoylphenyl)hexa-1,3,5-trienyl]-1-benzofuran-5-carboximidamide
CID 6435281
8-aminodibenzofuran-2-ol
CID 22664086
3-[(E)-2-(4-aminophenyl)ethenyl]-5-methylphenol
CID 144918045
4-[2-[5-(4-aminophenyl)furan-2-yl]ethenyl]aniline
CID 154398154

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-aminophenyl)ethenyl]-1-benzofuran-5-ol?
The IUPAC name of 2-[2-(4-aminophenyl)ethenyl]-1-benzofuran-5-ol (CID 67169332) is 2-[2-(4-aminophenyl)ethenyl]-1-benzofuran-5-ol.
What is the SMILES notation for 2-[2-(4-aminophenyl)ethenyl]-1-benzofuran-5-ol?
The canonical SMILES for 2-[2-(4-aminophenyl)ethenyl]-1-benzofuran-5-ol is Nc1ccc(C=Cc2cc3cc(O)ccc3o2)cc1.
What is the InChIKey of 2-[2-(4-aminophenyl)ethenyl]-1-benzofuran-5-ol?
The InChIKey is OPHAAUPEGGEPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c17-13-4-1-11(2-5-13)3-7-15-10-12-9-14(18)6-8-16(12)19-15/h1-10,18H,17H2.
What are the key properties of 2-[2-(4-aminophenyl)ethenyl]-1-benzofuran-5-ol?
2-[2-(4-aminophenyl)ethenyl]-1-benzofuran-5-ol has a molecular weight of 251.28 g/mol, XLogP of 3.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-aminophenyl)ethenyl]-1-benzofuran-5-ol is sourced from PubChem (CID 67169332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).