(2-methanehydrazonoylphenyl) 2-hydroxybenzoate

C14H12N2O3 — CID 70187606

IUPAC(2-methanehydrazonoylphenyl) 2-hydroxybenzoate
SMILESNN=Cc1ccccc1OC(=O)c1ccccc1O
InChIInChI=1S/C14H12N2O3/c15-16-9-10-5-1-4-8-13(10)19-14(18)11-6-2-3-7-12(11)17/h1-9,17H,15H2
InChIKeyAPYSDQUGXBLIQT-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.90
Rot. Bonds3

About (2-methanehydrazonoylphenyl) 2-hydroxybenzoate

(2-methanehydrazonoylphenyl) 2-hydroxybenzoate (PubChem CID 70187606) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is (2-methanehydrazonoylphenyl) 2-hydroxybenzoate.

Molecular Properties

Compound Name(2-methanehydrazonoylphenyl) 2-hydroxybenzoate
PubChem CID70187606
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name(2-methanehydrazonoylphenyl) 2-hydroxybenzoate
SMILESNN=Cc1ccccc1OC(=O)c1ccccc1O
InChIInChI=1S/C14H12N2O3/c15-16-9-10-5-1-4-8-13(10)19-14(18)11-6-2-3-7-12(11)17/h1-9,17H,15H2
InChIKeyAPYSDQUGXBLIQT-UHFFFAOYSA-N
XLogP1.90
TPSA84.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2-methanehydrazonoylphenyl) benzoate
CID 141428468
sodium 2-(2-hydroxybenzoyl)oxybenzoate
CID 23662396
naphthalen-1-yl 2-hydroxybenzoate
CID 504536
[2-(2-hydroxyethoxycarbonyl)phenyl] 2-hydroxybenzoate
CID 59101861
benzyl 2-[(E)-hydrazinylidenemethyl]benzoate
CID 145402503
(5-amino-2-methanehydrazonoylphenyl) benzoate
CID 141453778
copper;2-[(E)-hydrazinylidenemethyl]phenol;hydrate
CID 137286073
(2-propan-2-ylphenyl) 2-hydroxybenzoate
CID 22898697
formaldehyde;phenyl 2-hydroxybenzoate
CID 70193884
(3,5-dichlorophenyl) 2-hydroxybenzoate
CID 157309463
(2,4-dihydroxyphenyl) 2-hydroxybenzoate
CID 69048208
(4-methanehydrazonoylphenyl) 2-chlorobenzoate
CID 168530478

Frequently Asked Questions

What is the IUPAC name of (2-methanehydrazonoylphenyl) 2-hydroxybenzoate?
The IUPAC name of (2-methanehydrazonoylphenyl) 2-hydroxybenzoate (CID 70187606) is (2-methanehydrazonoylphenyl) 2-hydroxybenzoate.
What is the SMILES notation for (2-methanehydrazonoylphenyl) 2-hydroxybenzoate?
The canonical SMILES for (2-methanehydrazonoylphenyl) 2-hydroxybenzoate is NN=Cc1ccccc1OC(=O)c1ccccc1O.
What is the InChIKey of (2-methanehydrazonoylphenyl) 2-hydroxybenzoate?
The InChIKey is APYSDQUGXBLIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c15-16-9-10-5-1-4-8-13(10)19-14(18)11-6-2-3-7-12(11)17/h1-9,17H,15H2.
What are the key properties of (2-methanehydrazonoylphenyl) 2-hydroxybenzoate?
(2-methanehydrazonoylphenyl) 2-hydroxybenzoate has a molecular weight of 256.26 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methanehydrazonoylphenyl) 2-hydroxybenzoate is sourced from PubChem (CID 70187606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).