(2-methanehydrazonoylphenyl) benzoate

C14H12N2O2 — CID 141428468

IUPAC(2-methanehydrazonoylphenyl) benzoate
SMILESNN=Cc1ccccc1OC(=O)c1ccccc1
InChIInChI=1S/C14H12N2O2/c15-16-10-12-8-4-5-9-13(12)18-14(17)11-6-2-1-3-7-11/h1-10H,15H2
InChIKeyAVORCOFIJGEVMZ-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.20
Rot. Bonds3

About (2-methanehydrazonoylphenyl) benzoate

(2-methanehydrazonoylphenyl) benzoate (PubChem CID 141428468) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is (2-methanehydrazonoylphenyl) benzoate.

Molecular Properties

Compound Name(2-methanehydrazonoylphenyl) benzoate
PubChem CID141428468
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name(2-methanehydrazonoylphenyl) benzoate
SMILESNN=Cc1ccccc1OC(=O)c1ccccc1
InChIInChI=1S/C14H12N2O2/c15-16-10-12-8-4-5-9-13(12)18-14(17)11-6-2-1-3-7-11/h1-10H,15H2
InChIKeyAVORCOFIJGEVMZ-UHFFFAOYSA-N
XLogP2.20
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(5-amino-2-methanehydrazonoylphenyl) benzoate
CID 141453778
(2-methanehydrazonoylphenyl) 2-hydroxybenzoate
CID 70187606
[2-[(E)-3-oxoprop-1-enyl]phenyl] benzoate
CID 10467367
[2-[[[8-[2-[(2-benzoyloxyphenyl)methylidene]hydrazinyl]-8-oxooctanoyl]hydrazinylidene]methyl]phenyl] benzoate
CID 3282649
tris[2-[(3-hydroxyphenyl)iminomethyl]phenyl] benzene-1,3,5-tricarboxylate
CID 171716142
(Z)-(2-benzoyloxyphenyl)methylidene-(difluoromethyl)-phenylazanium
CID 177438129
benzyl 2-[(E)-hydrazinylidenemethyl]benzoate
CID 145402503
[2-[[[3-[2-[[2-(4-methoxybenzoyl)oxyphenyl]methylidene]hydrazinyl]-3-oxopropanoyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 4604297
[2-[(Z)-[[2-(4-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 6290283
[2-(2-hydroxyphenyl)phenyl] benzoate
CID 14400054
[2-(2-fluorophenoxy)phenyl]methylidenehydrazine
CID 168531027
(3-benzoyloxy-2-pyridin-2-ylphenyl) benzoate
CID 46187631

Frequently Asked Questions

What is the IUPAC name of (2-methanehydrazonoylphenyl) benzoate?
The IUPAC name of (2-methanehydrazonoylphenyl) benzoate (CID 141428468) is (2-methanehydrazonoylphenyl) benzoate.
What is the SMILES notation for (2-methanehydrazonoylphenyl) benzoate?
The canonical SMILES for (2-methanehydrazonoylphenyl) benzoate is NN=Cc1ccccc1OC(=O)c1ccccc1.
What is the InChIKey of (2-methanehydrazonoylphenyl) benzoate?
The InChIKey is AVORCOFIJGEVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c15-16-10-12-8-4-5-9-13(12)18-14(17)11-6-2-1-3-7-11/h1-10H,15H2.
What are the key properties of (2-methanehydrazonoylphenyl) benzoate?
(2-methanehydrazonoylphenyl) benzoate has a molecular weight of 240.26 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methanehydrazonoylphenyl) benzoate is sourced from PubChem (CID 141428468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).