4-[4-[(E)-hydroxyiminomethyl]-1-benzofuran-7-yl]phenol

C15H11NO3 — CID 135409936

IUPAC4-[4-[(E)-hydroxyiminomethyl]-1-benzofuran-7-yl]phenol
SMILESO/N=C/c1ccc(-c2ccc(O)cc2)c2occc12
InChIInChI=1S/C15H11NO3/c17-12-4-1-10(2-5-12)13-6-3-11(9-16-18)14-7-8-19-15(13)14/h1-9,17-18H/b16-9+
InChIKeyUJGSAOAFMWYCAT-CXUHLZMHSA-N
MW253.26 g/mol
LogP3.61
Rot. Bonds2

About 4-[4-[(E)-hydroxyiminomethyl]-1-benzofuran-7-yl]phenol

4-[4-[(E)-hydroxyiminomethyl]-1-benzofuran-7-yl]phenol (PubChem CID 135409936) has the molecular formula C15H11NO3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 4-[4-[(E)-hydroxyiminomethyl]-1-benzofuran-7-yl]phenol.

Molecular Properties

Compound Name4-[4-[(E)-hydroxyiminomethyl]-1-benzofuran-7-yl]phenol
PubChem CID135409936
Molecular FormulaC15H11NO3
Molecular Weight253.26 g/mol
Exact Mass253.07
IUPAC Name4-[4-[(E)-hydroxyiminomethyl]-1-benzofuran-7-yl]phenol
SMILESO/N=C/c1ccc(-c2ccc(O)cc2)c2occc12
InChIInChI=1S/C15H11NO3/c17-12-4-1-10(2-5-12)13-6-3-11(9-16-18)14-7-8-19-15(13)14/h1-9,17-18H/b16-9+
InChIKeyUJGSAOAFMWYCAT-CXUHLZMHSA-N
XLogP3.61
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(E)-hydroxyiminomethyl]-1-benzofuran-7-yl]phenol?
The IUPAC name of 4-[4-[(E)-hydroxyiminomethyl]-1-benzofuran-7-yl]phenol (CID 135409936) is 4-[4-[(E)-hydroxyiminomethyl]-1-benzofuran-7-yl]phenol.
What is the SMILES notation for 4-[4-[(E)-hydroxyiminomethyl]-1-benzofuran-7-yl]phenol?
The canonical SMILES for 4-[4-[(E)-hydroxyiminomethyl]-1-benzofuran-7-yl]phenol is O/N=C/c1ccc(-c2ccc(O)cc2)c2occc12.
What is the InChIKey of 4-[4-[(E)-hydroxyiminomethyl]-1-benzofuran-7-yl]phenol?
The InChIKey is UJGSAOAFMWYCAT-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H11NO3/c17-12-4-1-10(2-5-12)13-6-3-11(9-16-18)14-7-8-19-15(13)14/h1-9,17-18H/b16-9+.
What are the key properties of 4-[4-[(E)-hydroxyiminomethyl]-1-benzofuran-7-yl]phenol?
4-[4-[(E)-hydroxyiminomethyl]-1-benzofuran-7-yl]phenol has a molecular weight of 253.26 g/mol, XLogP of 3.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(E)-hydroxyiminomethyl]-1-benzofuran-7-yl]phenol is sourced from PubChem (CID 135409936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).