4-[(4-amino-1-benzofuran-3-yl)methoxy]phenol

C15H13NO3 — CID 117170417

IUPAC4-[(4-amino-1-benzofuran-3-yl)methoxy]phenol
SMILESNc1cccc2occ(COc3ccc(O)cc3)c12
InChIInChI=1S/C15H13NO3/c16-13-2-1-3-14-15(13)10(9-19-14)8-18-12-6-4-11(17)5-7-12/h1-7,9,17H,8,16H2
InChIKeyAVLOWRVLKHGBSV-UHFFFAOYSA-N
MW255.27 g/mol
LogP3.30
Rot. Bonds3

About 4-[(4-amino-1-benzofuran-3-yl)methoxy]phenol

4-[(4-amino-1-benzofuran-3-yl)methoxy]phenol (PubChem CID 117170417) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 4-[(4-amino-1-benzofuran-3-yl)methoxy]phenol.

Molecular Properties

Compound Name4-[(4-amino-1-benzofuran-3-yl)methoxy]phenol
PubChem CID117170417
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name4-[(4-amino-1-benzofuran-3-yl)methoxy]phenol
SMILESNc1cccc2occ(COc3ccc(O)cc3)c12
InChIInChI=1S/C15H13NO3/c16-13-2-1-3-14-15(13)10(9-19-14)8-18-12-6-4-11(17)5-7-12/h1-7,9,17H,8,16H2
InChIKeyAVLOWRVLKHGBSV-UHFFFAOYSA-N
XLogP3.30
TPSA68.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[(4-amino-1-benzofuran-3-yl)methoxy]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(phenoxymethyl)-1-benzofuran-4-amine
CID 117170323
3-[(4-bromophenoxy)methyl]-1-benzofuran-4-amine
CID 117170407
4-[(4-chloro-1-benzofuran-3-yl)methoxy]phenol
CID 117170423
3-(pyridin-3-yloxymethyl)-1-benzofuran-4-amine
CID 117170427
4-fluoro-3-[(4-fluorophenoxy)methyl]-1-benzofuran
CID 117170411
[3-[(4-methoxyphenoxy)methyl]-1-benzofuran-4-yl]methanamine
CID 117170233
4-bromo-3-(phenoxymethyl)-1-benzofuran
CID 117170327
3-[(4-hydroxyphenoxy)methyl]-1-benzofuran-7-ol
CID 117181099
3-[(4-hydroxyphenoxy)methyl]-1-benzofuran-5-ol
CID 117174309
3-[(dimethylamino)methyl]-1-benzofuran-4-amine
CID 117170261
4-[[5-(aminomethyl)-1-benzofuran-3-yl]methoxy]phenol
CID 117174167
3-[(4-bromophenoxy)methyl]-1-benzofuran-7-amine
CID 117181089

Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-1-benzofuran-3-yl)methoxy]phenol?
The IUPAC name of 4-[(4-amino-1-benzofuran-3-yl)methoxy]phenol (CID 117170417) is 4-[(4-amino-1-benzofuran-3-yl)methoxy]phenol.
What is the SMILES notation for 4-[(4-amino-1-benzofuran-3-yl)methoxy]phenol?
The canonical SMILES for 4-[(4-amino-1-benzofuran-3-yl)methoxy]phenol is Nc1cccc2occ(COc3ccc(O)cc3)c12.
What is the InChIKey of 4-[(4-amino-1-benzofuran-3-yl)methoxy]phenol?
The InChIKey is AVLOWRVLKHGBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c16-13-2-1-3-14-15(13)10(9-19-14)8-18-12-6-4-11(17)5-7-12/h1-7,9,17H,8,16H2.
What are the key properties of 4-[(4-amino-1-benzofuran-3-yl)methoxy]phenol?
4-[(4-amino-1-benzofuran-3-yl)methoxy]phenol has a molecular weight of 255.27 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-1-benzofuran-3-yl)methoxy]phenol is sourced from PubChem (CID 117170417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).