3-[(4-phenoxyphenyl)iminomethyl]-2-benzofuran-1-ol

C21H15NO3 — CID 3398697

IUPAC3-[(4-phenoxyphenyl)iminomethyl]-2-benzofuran-1-ol
SMILESOc1oc(/C=N/c2ccc(Oc3ccccc3)cc2)c2ccccc12
InChIInChI=1S/C21H15NO3/c23-21-19-9-5-4-8-18(19)20(25-21)14-22-15-10-12-17(13-11-15)24-16-6-2-1-3-7-16/h1-14,23H/b22-14+
InChIKeyQOGQMKLTNUZPHY-HYARGMPZSA-N
MW329.36 g/mol
LogP5.68
Rot. Bonds4

About 3-[(4-phenoxyphenyl)iminomethyl]-2-benzofuran-1-ol

3-[(4-phenoxyphenyl)iminomethyl]-2-benzofuran-1-ol (PubChem CID 3398697) has the molecular formula C21H15NO3 and a molecular weight of 329.36 g/mol. Its IUPAC name is 3-[(4-phenoxyphenyl)iminomethyl]-2-benzofuran-1-ol.

Molecular Properties

Compound Name3-[(4-phenoxyphenyl)iminomethyl]-2-benzofuran-1-ol
PubChem CID3398697
Molecular FormulaC21H15NO3
Molecular Weight329.36 g/mol
Exact Mass329.11
IUPAC Name3-[(4-phenoxyphenyl)iminomethyl]-2-benzofuran-1-ol
SMILESOc1oc(/C=N/c2ccc(Oc3ccccc3)cc2)c2ccccc12
InChIInChI=1S/C21H15NO3/c23-21-19-9-5-4-8-18(19)20(25-21)14-22-15-10-12-17(13-11-15)24-16-6-2-1-3-7-16/h1-14,23H/b22-14+
InChIKeyQOGQMKLTNUZPHY-HYARGMPZSA-N
XLogP5.68
TPSA54.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.36
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

CID 742149
CID 742149
CID 3826081
CID 3826081
CID 135433820
CID 135433820
CID 705272
CID 705272
CID 762469
CID 762469
CID 919763
CID 919763
CID 135852840
CID 135852840
CID 2768540
CID 2768540
CID 3631020
CID 3631020
CID 3677464
CID 3677464
CID 4516214
CID 4516214
CID 135507129
CID 135507129

Frequently Asked Questions

What is the IUPAC name of 3-[(4-phenoxyphenyl)iminomethyl]-2-benzofuran-1-ol?
The IUPAC name of 3-[(4-phenoxyphenyl)iminomethyl]-2-benzofuran-1-ol (CID 3398697) is 3-[(4-phenoxyphenyl)iminomethyl]-2-benzofuran-1-ol.
What is the SMILES notation for 3-[(4-phenoxyphenyl)iminomethyl]-2-benzofuran-1-ol?
The canonical SMILES for 3-[(4-phenoxyphenyl)iminomethyl]-2-benzofuran-1-ol is Oc1oc(/C=N/c2ccc(Oc3ccccc3)cc2)c2ccccc12.
What is the InChIKey of 3-[(4-phenoxyphenyl)iminomethyl]-2-benzofuran-1-ol?
The InChIKey is QOGQMKLTNUZPHY-HYARGMPZSA-N. The full InChI is InChI=1S/C21H15NO3/c23-21-19-9-5-4-8-18(19)20(25-21)14-22-15-10-12-17(13-11-15)24-16-6-2-1-3-7-16/h1-14,23H/b22-14+.
What are the key properties of 3-[(4-phenoxyphenyl)iminomethyl]-2-benzofuran-1-ol?
3-[(4-phenoxyphenyl)iminomethyl]-2-benzofuran-1-ol has a molecular weight of 329.36 g/mol, XLogP of 5.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-phenoxyphenyl)iminomethyl]-2-benzofuran-1-ol is sourced from PubChem (CID 3398697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).