2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1-benzofuran-5-ol

C18H17NO2 — CID 44548165

IUPAC2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1-benzofuran-5-ol
SMILESCN(C)c1ccc(/C=C/c2cc3cc(O)ccc3o2)cc1
InChIInChI=1S/C18H17NO2/c1-19(2)15-6-3-13(4-7-15)5-9-17-12-14-11-16(20)8-10-18(14)21-17/h3-12,20H,1-2H3/b9-5+
InChIKeyHDARYIWAGLMUDF-WEVVVXLNSA-N
MW279.34 g/mol
LogP4.37
Rot. Bonds3

About 2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1-benzofuran-5-ol

2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1-benzofuran-5-ol (PubChem CID 44548165) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1-benzofuran-5-ol.

Molecular Properties

Compound Name2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1-benzofuran-5-ol
PubChem CID44548165
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1-benzofuran-5-ol
SMILESCN(C)c1ccc(/C=C/c2cc3cc(O)ccc3o2)cc1
InChIInChI=1S/C18H17NO2/c1-19(2)15-6-3-13(4-7-15)5-9-17-12-14-11-16(20)8-10-18(14)21-17/h3-12,20H,1-2H3/b9-5+
InChIKeyHDARYIWAGLMUDF-WEVVVXLNSA-N
XLogP4.37
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1-benzofuran-5-ol?
The IUPAC name of 2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1-benzofuran-5-ol (CID 44548165) is 2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1-benzofuran-5-ol.
What is the SMILES notation for 2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1-benzofuran-5-ol?
The canonical SMILES for 2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1-benzofuran-5-ol is CN(C)c1ccc(/C=C/c2cc3cc(O)ccc3o2)cc1.
What is the InChIKey of 2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1-benzofuran-5-ol?
The InChIKey is HDARYIWAGLMUDF-WEVVVXLNSA-N. The full InChI is InChI=1S/C18H17NO2/c1-19(2)15-6-3-13(4-7-15)5-9-17-12-14-11-16(20)8-10-18(14)21-17/h3-12,20H,1-2H3/b9-5+.
What are the key properties of 2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1-benzofuran-5-ol?
2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1-benzofuran-5-ol has a molecular weight of 279.34 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-1-benzofuran-5-ol is sourced from PubChem (CID 44548165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).