(4-methanehydrazonoylphenyl) 3-methylbenzoate

C15H14N2O2 — CID 168530479

IUPAC(4-methanehydrazonoylphenyl) 3-methylbenzoate
SMILESCc1cccc(C(=O)Oc2ccc(C=NN)cc2)c1
InChIInChI=1S/C15H14N2O2/c1-11-3-2-4-13(9-11)15(18)19-14-7-5-12(6-8-14)10-17-16/h2-10H,16H2,1H3
InChIKeyBZLFMRBDUVNMNB-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.51
Rot. Bonds3

About (4-methanehydrazonoylphenyl) 3-methylbenzoate

(4-methanehydrazonoylphenyl) 3-methylbenzoate (PubChem CID 168530479) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is (4-methanehydrazonoylphenyl) 3-methylbenzoate.

Molecular Properties

Compound Name(4-methanehydrazonoylphenyl) 3-methylbenzoate
PubChem CID168530479
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name(4-methanehydrazonoylphenyl) 3-methylbenzoate
SMILESCc1cccc(C(=O)Oc2ccc(C=NN)cc2)c1
InChIInChI=1S/C15H14N2O2/c1-11-3-2-4-13(9-11)15(18)19-14-7-5-12(6-8-14)10-17-16/h2-10H,16H2,1H3
InChIKeyBZLFMRBDUVNMNB-UHFFFAOYSA-N
XLogP2.51
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.51
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

[4-[(benzoylhydrazinylidene)methyl]phenyl] 3-methylbenzoate
CID 4244003
(4-acetylphenyl) 3-methylbenzoate
CID 795319
[4-[[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 3-methylbenzoate
CID 3098495
[4-[[[2-[(3-methylbenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 3-methylbenzoate
CID 3554091
[4-[(E)-[(2-chlorobenzoyl)hydrazinylidene]methyl]phenyl] 3-methylbenzoate
CID 45054745
[4-[(Z)-[(2-anilino-2-oxoacetyl)hydrazinylidene]methyl]phenyl] 3-methylbenzoate
CID 6185422
[4-[[(3-methylbenzoyl)hydrazinylidene]methyl]phenyl] 4-bromobenzoate
CID 4071128
[4-[(E)-[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenyl] 3-methylbenzoate
CID 172920527
[4-[[(4-prop-2-enoxybenzoyl)hydrazinylidene]methyl]phenyl] 3-methylbenzoate
CID 3526997
[4-[(Z)-[[2-(2-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 3-methylbenzoate
CID 6283934
[4-[[[2-(4-butoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-methylbenzoate
CID 3401102
[4-[[[2-(4-ethoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 3-methylbenzoate
CID 3857107

Frequently Asked Questions

What is the IUPAC name of (4-methanehydrazonoylphenyl) 3-methylbenzoate?
The IUPAC name of (4-methanehydrazonoylphenyl) 3-methylbenzoate (CID 168530479) is (4-methanehydrazonoylphenyl) 3-methylbenzoate.
What is the SMILES notation for (4-methanehydrazonoylphenyl) 3-methylbenzoate?
The canonical SMILES for (4-methanehydrazonoylphenyl) 3-methylbenzoate is Cc1cccc(C(=O)Oc2ccc(C=NN)cc2)c1.
What is the InChIKey of (4-methanehydrazonoylphenyl) 3-methylbenzoate?
The InChIKey is BZLFMRBDUVNMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-11-3-2-4-13(9-11)15(18)19-14-7-5-12(6-8-14)10-17-16/h2-10H,16H2,1H3.
What are the key properties of (4-methanehydrazonoylphenyl) 3-methylbenzoate?
(4-methanehydrazonoylphenyl) 3-methylbenzoate has a molecular weight of 254.29 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methanehydrazonoylphenyl) 3-methylbenzoate is sourced from PubChem (CID 168530479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).