4-[3-[(E)-hydroxyiminomethyl]indol-1-yl]phenol

C15H12N2O2 — CID 11701565

IUPAC4-[3-[(E)-hydroxyiminomethyl]indol-1-yl]phenol
SMILESO/N=C/c1cn(-c2ccc(O)cc2)c2ccccc12
InChIInChI=1S/C15H12N2O2/c18-13-7-5-12(6-8-13)17-10-11(9-16-19)14-3-1-2-4-15(14)17/h1-10,18-19H/b16-9+
InChIKeyPUZSIQXETQCQII-CXUHLZMHSA-N
MW252.27 g/mol
LogP3.14
Rot. Bonds2

About 4-[3-[(E)-hydroxyiminomethyl]indol-1-yl]phenol

4-[3-[(E)-hydroxyiminomethyl]indol-1-yl]phenol (PubChem CID 11701565) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 4-[3-[(E)-hydroxyiminomethyl]indol-1-yl]phenol.

Molecular Properties

Compound Name4-[3-[(E)-hydroxyiminomethyl]indol-1-yl]phenol
PubChem CID11701565
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name4-[3-[(E)-hydroxyiminomethyl]indol-1-yl]phenol
SMILESO/N=C/c1cn(-c2ccc(O)cc2)c2ccccc12
InChIInChI=1S/C15H12N2O2/c18-13-7-5-12(6-8-13)17-10-11(9-16-19)14-3-1-2-4-15(14)17/h1-10,18-19H/b16-9+
InChIKeyPUZSIQXETQCQII-CXUHLZMHSA-N
XLogP3.14
TPSA57.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.14
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-[3-[(E)-hydroxyiminomethyl]indol-1-yl]phenol?
The IUPAC name of 4-[3-[(E)-hydroxyiminomethyl]indol-1-yl]phenol (CID 11701565) is 4-[3-[(E)-hydroxyiminomethyl]indol-1-yl]phenol.
What is the SMILES notation for 4-[3-[(E)-hydroxyiminomethyl]indol-1-yl]phenol?
The canonical SMILES for 4-[3-[(E)-hydroxyiminomethyl]indol-1-yl]phenol is O/N=C/c1cn(-c2ccc(O)cc2)c2ccccc12.
What is the InChIKey of 4-[3-[(E)-hydroxyiminomethyl]indol-1-yl]phenol?
The InChIKey is PUZSIQXETQCQII-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H12N2O2/c18-13-7-5-12(6-8-13)17-10-11(9-16-19)14-3-1-2-4-15(14)17/h1-10,18-19H/b16-9+.
What are the key properties of 4-[3-[(E)-hydroxyiminomethyl]indol-1-yl]phenol?
4-[3-[(E)-hydroxyiminomethyl]indol-1-yl]phenol has a molecular weight of 252.27 g/mol, XLogP of 3.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(E)-hydroxyiminomethyl]indol-1-yl]phenol is sourced from PubChem (CID 11701565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).