4-[3-[(E)-hydroxyiminomethyl]-2-(methylamino)-6-phenylphenyl]phenol

C20H18N2O2 — CID 11843161

IUPAC4-[3-[(E)-hydroxyiminomethyl]-2-(methylamino)-6-phenylphenyl]phenol
SMILESCNc1c(/C=N/O)ccc(-c2ccccc2)c1-c1ccc(O)cc1
InChIInChI=1S/C20H18N2O2/c1-21-20-16(13-22-24)9-12-18(14-5-3-2-4-6-14)19(20)15-7-10-17(23)11-8-15/h2-13,21,23-24H,1H3/b22-13+
InChIKeyBGCJDQNZYGXXTQ-LPYMAVHISA-N
MW318.38 g/mol
LogP4.58
Rot. Bonds4

About 4-[3-[(E)-hydroxyiminomethyl]-2-(methylamino)-6-phenylphenyl]phenol

4-[3-[(E)-hydroxyiminomethyl]-2-(methylamino)-6-phenylphenyl]phenol (PubChem CID 11843161) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 4-[3-[(E)-hydroxyiminomethyl]-2-(methylamino)-6-phenylphenyl]phenol.

Molecular Properties

Compound Name4-[3-[(E)-hydroxyiminomethyl]-2-(methylamino)-6-phenylphenyl]phenol
PubChem CID11843161
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Name4-[3-[(E)-hydroxyiminomethyl]-2-(methylamino)-6-phenylphenyl]phenol
SMILESCNc1c(/C=N/O)ccc(-c2ccccc2)c1-c1ccc(O)cc1
InChIInChI=1S/C20H18N2O2/c1-21-20-16(13-22-24)9-12-18(14-5-3-2-4-6-14)19(20)15-7-10-17(23)11-8-15/h2-13,21,23-24H,1H3/b22-13+
InChIKeyBGCJDQNZYGXXTQ-LPYMAVHISA-N
XLogP4.58
TPSA64.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 54.58
H-Bond Donors ≤ 53
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]-2-(methylamino)-6-phenylphenyl]phenol?
The IUPAC name of 4-[3-[(E)-hydroxyiminomethyl]-2-(methylamino)-6-phenylphenyl]phenol (CID 11843161) is 4-[3-[(E)-hydroxyiminomethyl]-2-(methylamino)-6-phenylphenyl]phenol.
What is the SMILES notation for 4-[3-[(E)-hydroxyiminomethyl]-2-(methylamino)-6-phenylphenyl]phenol?
The canonical SMILES for 4-[3-[(E)-hydroxyiminomethyl]-2-(methylamino)-6-phenylphenyl]phenol is CNc1c(/C=N/O)ccc(-c2ccccc2)c1-c1ccc(O)cc1.
What is the InChIKey of 4-[3-[(E)-hydroxyiminomethyl]-2-(methylamino)-6-phenylphenyl]phenol?
The InChIKey is BGCJDQNZYGXXTQ-LPYMAVHISA-N. The full InChI is InChI=1S/C20H18N2O2/c1-21-20-16(13-22-24)9-12-18(14-5-3-2-4-6-14)19(20)15-7-10-17(23)11-8-15/h2-13,21,23-24H,1H3/b22-13+.
What are the key properties of 4-[3-[(E)-hydroxyiminomethyl]-2-(methylamino)-6-phenylphenyl]phenol?
4-[3-[(E)-hydroxyiminomethyl]-2-(methylamino)-6-phenylphenyl]phenol has a molecular weight of 318.38 g/mol, XLogP of 4.58, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(E)-hydroxyiminomethyl]-2-(methylamino)-6-phenylphenyl]phenol is sourced from PubChem (CID 11843161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).