[4-[(2-phenylhydrazinyl)methyl]phenyl] 4-methylbenzoate

C21H20N2O2 — CID 169386056

IUPAC[4-[(2-phenylhydrazinyl)methyl]phenyl] 4-methylbenzoate
SMILESCc1ccc(C(=O)Oc2ccc(CNNc3ccccc3)cc2)cc1
InChIInChI=1S/C21H20N2O2/c1-16-7-11-18(12-8-16)21(24)25-20-13-9-17(10-14-20)15-22-23-19-5-3-2-4-6-19/h2-14,22-23H,15H2,1H3
InChIKeyLSFQGZWGLDTGBV-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.33
Rot. Bonds6

About [4-[(2-phenylhydrazinyl)methyl]phenyl] 4-methylbenzoate

[4-[(2-phenylhydrazinyl)methyl]phenyl] 4-methylbenzoate (PubChem CID 169386056) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is [4-[(2-phenylhydrazinyl)methyl]phenyl] 4-methylbenzoate.

Molecular Properties

Compound Name[4-[(2-phenylhydrazinyl)methyl]phenyl] 4-methylbenzoate
PubChem CID169386056
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name[4-[(2-phenylhydrazinyl)methyl]phenyl] 4-methylbenzoate
SMILESCc1ccc(C(=O)Oc2ccc(CNNc3ccccc3)cc2)cc1
InChIInChI=1S/C21H20N2O2/c1-16-7-11-18(12-8-16)21(24)25-20-13-9-17(10-14-20)15-22-23-19-5-3-2-4-6-19/h2-14,22-23H,15H2,1H3
InChIKeyLSFQGZWGLDTGBV-UHFFFAOYSA-N
XLogP4.33
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-[(2-phenylhydrazinyl)methyl]phenyl] 3-methylbenzoate
CID 169386055
methyl 4-[[4-[(2-phenylhydrazinyl)methyl]phenoxy]methyl]benzoate
CID 169385691
[4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate
CID 576898
formaldehyde;(4-methylphenyl) benzoate
CID 143467602
phenyl 4-[(4-methylphenoxy)methoxy]benzoate
CID 21306270
methane;[4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate;bis((4-methylphenyl) 4-methylbenzoate)
CID 157062010
[4-(4-methylphenyl)phenyl] 4-methylbenzoate
CID 3092081
heptane;phenyl 4-methylbenzoate
CID 174915519
ethane;[4-(4-methylphenoxy)carbonylphenyl] 4-(4-methylphenyl)benzoate
CID 91606388
(4-methylphenyl) N-benzylcarbamate
CID 14292552
methyl 4-[2-[3-[(2-phenylhydrazinyl)methyl]phenoxy]ethoxy]benzoate
CID 169386933
[4-(4-methoxycarbonylphenoxy)carbonylphenyl] 4-(4-methylphenyl)benzoate
CID 59024973

Frequently Asked Questions

What is the IUPAC name of [4-[(2-phenylhydrazinyl)methyl]phenyl] 4-methylbenzoate?
The IUPAC name of [4-[(2-phenylhydrazinyl)methyl]phenyl] 4-methylbenzoate (CID 169386056) is [4-[(2-phenylhydrazinyl)methyl]phenyl] 4-methylbenzoate.
What is the SMILES notation for [4-[(2-phenylhydrazinyl)methyl]phenyl] 4-methylbenzoate?
The canonical SMILES for [4-[(2-phenylhydrazinyl)methyl]phenyl] 4-methylbenzoate is Cc1ccc(C(=O)Oc2ccc(CNNc3ccccc3)cc2)cc1.
What is the InChIKey of [4-[(2-phenylhydrazinyl)methyl]phenyl] 4-methylbenzoate?
The InChIKey is LSFQGZWGLDTGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-16-7-11-18(12-8-16)21(24)25-20-13-9-17(10-14-20)15-22-23-19-5-3-2-4-6-19/h2-14,22-23H,15H2,1H3.
What are the key properties of [4-[(2-phenylhydrazinyl)methyl]phenyl] 4-methylbenzoate?
[4-[(2-phenylhydrazinyl)methyl]phenyl] 4-methylbenzoate has a molecular weight of 332.40 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-phenylhydrazinyl)methyl]phenyl] 4-methylbenzoate is sourced from PubChem (CID 169386056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).