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

C16H15NO2 — CID 11543378

IUPAC2-[4-(dimethylamino)phenyl]-1-benzofuran-5-ol
SMILESCN(C)c1ccc(-c2cc3cc(O)ccc3o2)cc1
InChIInChI=1S/C16H15NO2/c1-17(2)13-5-3-11(4-6-13)16-10-12-9-14(18)7-8-15(12)19-16/h3-10,18H,1-2H3
InChIKeyZEWYMVJDOSXOEG-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.87
Rot. Bonds2

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

2-[4-(dimethylamino)phenyl]-1-benzofuran-5-ol (PubChem CID 11543378) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]-1-benzofuran-5-ol.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]-1-benzofuran-5-ol
PubChem CID11543378
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name2-[4-(dimethylamino)phenyl]-1-benzofuran-5-ol
SMILESCN(C)c1ccc(-c2cc3cc(O)ccc3o2)cc1
InChIInChI=1S/C16H15NO2/c1-17(2)13-5-3-11(4-6-13)16-10-12-9-14(18)7-8-15(12)19-16/h3-10,18H,1-2H3
InChIKeyZEWYMVJDOSXOEG-UHFFFAOYSA-N
XLogP3.87
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)phenyl]-1-benzofuran-5-ol?
The IUPAC name of 2-[4-(dimethylamino)phenyl]-1-benzofuran-5-ol (CID 11543378) is 2-[4-(dimethylamino)phenyl]-1-benzofuran-5-ol.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]-1-benzofuran-5-ol?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]-1-benzofuran-5-ol is CN(C)c1ccc(-c2cc3cc(O)ccc3o2)cc1.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]-1-benzofuran-5-ol?
The InChIKey is ZEWYMVJDOSXOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-17(2)13-5-3-11(4-6-13)16-10-12-9-14(18)7-8-15(12)19-16/h3-10,18H,1-2H3.
What are the key properties of 2-[4-(dimethylamino)phenyl]-1-benzofuran-5-ol?
2-[4-(dimethylamino)phenyl]-1-benzofuran-5-ol has a molecular weight of 253.30 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)phenyl]-1-benzofuran-5-ol is sourced from PubChem (CID 11543378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).