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

C16H14ClNO2 — CID 44548347

IUPAC2-[(E)-2-(4-aminophenyl)ethenyl]-1-benzofuran-5-ol;hydrochloride
SMILESCl.Nc1ccc(/C=C/c2cc3cc(O)ccc3o2)cc1
InChIInChI=1S/C16H13NO2.ClH/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;1H/b7-3+;
InChIKeyUUAMIBKZUGHWJD-CDQVLDCRSA-N
MW287.75 g/mol
LogP4.31
Rot. Bonds2

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

2-[(E)-2-(4-aminophenyl)ethenyl]-1-benzofuran-5-ol;hydrochloride (PubChem CID 44548347) has the molecular formula C16H14ClNO2 and a molecular weight of 287.75 g/mol. Its IUPAC name is 2-[(E)-2-(4-aminophenyl)ethenyl]-1-benzofuran-5-ol;hydrochloride.

Molecular Properties

Compound Name2-[(E)-2-(4-aminophenyl)ethenyl]-1-benzofuran-5-ol;hydrochloride
PubChem CID44548347
Molecular FormulaC16H14ClNO2
Molecular Weight287.75 g/mol
Exact Mass287.07
IUPAC Name2-[(E)-2-(4-aminophenyl)ethenyl]-1-benzofuran-5-ol;hydrochloride
SMILESCl.Nc1ccc(/C=C/c2cc3cc(O)ccc3o2)cc1
InChIInChI=1S/C16H13NO2.ClH/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;1H/b7-3+;
InChIKeyUUAMIBKZUGHWJD-CDQVLDCRSA-N
XLogP4.31
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(4-aminophenyl)ethenyl]-1-benzofuran-5-ol;hydrochloride?
The IUPAC name of 2-[(E)-2-(4-aminophenyl)ethenyl]-1-benzofuran-5-ol;hydrochloride (CID 44548347) is 2-[(E)-2-(4-aminophenyl)ethenyl]-1-benzofuran-5-ol;hydrochloride.
What is the SMILES notation for 2-[(E)-2-(4-aminophenyl)ethenyl]-1-benzofuran-5-ol;hydrochloride?
The canonical SMILES for 2-[(E)-2-(4-aminophenyl)ethenyl]-1-benzofuran-5-ol;hydrochloride is Cl.Nc1ccc(/C=C/c2cc3cc(O)ccc3o2)cc1.
What is the InChIKey of 2-[(E)-2-(4-aminophenyl)ethenyl]-1-benzofuran-5-ol;hydrochloride?
The InChIKey is UUAMIBKZUGHWJD-CDQVLDCRSA-N. The full InChI is InChI=1S/C16H13NO2.ClH/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;1H/b7-3+;.
What are the key properties of 2-[(E)-2-(4-aminophenyl)ethenyl]-1-benzofuran-5-ol;hydrochloride?
2-[(E)-2-(4-aminophenyl)ethenyl]-1-benzofuran-5-ol;hydrochloride has a molecular weight of 287.75 g/mol, XLogP of 4.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4-aminophenyl)ethenyl]-1-benzofuran-5-ol;hydrochloride is sourced from PubChem (CID 44548347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).