(4-hydroxyphenyl)-(4-hydroxyphenyl)imino-oxidoazanium

C12H10N2O3 — CID 135404235

IUPAC(4-hydroxyphenyl)-(4-hydroxyphenyl)imino-oxidoazanium
SMILES[O-]/[N+](=N\c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C12H10N2O3/c15-11-5-1-9(2-6-11)13-14(17)10-3-7-12(16)8-4-10/h1-8,15-16H/b14-13-
InChIKeyVCVDNSCCCADAHZ-YPKPFQOOSA-N
MW230.22 g/mol
LogP3.02
Rot. Bonds2

About (4-hydroxyphenyl)-(4-hydroxyphenyl)imino-oxidoazanium

(4-hydroxyphenyl)-(4-hydroxyphenyl)imino-oxidoazanium (PubChem CID 135404235) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is (4-hydroxyphenyl)-(4-hydroxyphenyl)imino-oxidoazanium.

Molecular Properties

Compound Name(4-hydroxyphenyl)-(4-hydroxyphenyl)imino-oxidoazanium
PubChem CID135404235
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name(4-hydroxyphenyl)-(4-hydroxyphenyl)imino-oxidoazanium
SMILES[O-]/[N+](=N\c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C12H10N2O3/c15-11-5-1-9(2-6-11)13-14(17)10-3-7-12(16)8-4-10/h1-8,15-16H/b14-13-
InChIKeyVCVDNSCCCADAHZ-YPKPFQOOSA-N
XLogP3.02
TPSA78.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxyphenyl)-(4-hydroxyphenyl)imino-oxidoazanium?
The IUPAC name of (4-hydroxyphenyl)-(4-hydroxyphenyl)imino-oxidoazanium (CID 135404235) is (4-hydroxyphenyl)-(4-hydroxyphenyl)imino-oxidoazanium.
What is the SMILES notation for (4-hydroxyphenyl)-(4-hydroxyphenyl)imino-oxidoazanium?
The canonical SMILES for (4-hydroxyphenyl)-(4-hydroxyphenyl)imino-oxidoazanium is [O-]/[N+](=N\c1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of (4-hydroxyphenyl)-(4-hydroxyphenyl)imino-oxidoazanium?
The InChIKey is VCVDNSCCCADAHZ-YPKPFQOOSA-N. The full InChI is InChI=1S/C12H10N2O3/c15-11-5-1-9(2-6-11)13-14(17)10-3-7-12(16)8-4-10/h1-8,15-16H/b14-13-.
What are the key properties of (4-hydroxyphenyl)-(4-hydroxyphenyl)imino-oxidoazanium?
(4-hydroxyphenyl)-(4-hydroxyphenyl)imino-oxidoazanium has a molecular weight of 230.22 g/mol, XLogP of 3.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyphenyl)-(4-hydroxyphenyl)imino-oxidoazanium is sourced from PubChem (CID 135404235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).