4-methyl-2-nitro-6-[(2-phenylhydrazinyl)methyl]phenol

C14H15N3O3 — CID 169385221

IUPAC4-methyl-2-nitro-6-[(2-phenylhydrazinyl)methyl]phenol
SMILESCc1cc(CNNc2ccccc2)c(O)c([N+](=O)[O-])c1
InChIInChI=1S/C14H15N3O3/c1-10-7-11(14(18)13(8-10)17(19)20)9-15-16-12-5-3-2-4-6-12/h2-8,15-16,18H,9H2,1H3
InChIKeyLPFUTQADLKKBQN-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.73
Rot. Bonds5

About 4-methyl-2-nitro-6-[(2-phenylhydrazinyl)methyl]phenol

4-methyl-2-nitro-6-[(2-phenylhydrazinyl)methyl]phenol (PubChem CID 169385221) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 4-methyl-2-nitro-6-[(2-phenylhydrazinyl)methyl]phenol.

Molecular Properties

Compound Name4-methyl-2-nitro-6-[(2-phenylhydrazinyl)methyl]phenol
PubChem CID169385221
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name4-methyl-2-nitro-6-[(2-phenylhydrazinyl)methyl]phenol
SMILESCc1cc(CNNc2ccccc2)c(O)c([N+](=O)[O-])c1
InChIInChI=1S/C14H15N3O3/c1-10-7-11(14(18)13(8-10)17(19)20)9-15-16-12-5-3-2-4-6-12/h2-8,15-16,18H,9H2,1H3
InChIKeyLPFUTQADLKKBQN-UHFFFAOYSA-N
XLogP2.73
TPSA87.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-nitro-6-[(2-phenylhydrazinyl)methyl]benzene-1,3-diol
CID 169386178
3,6-dimethyl-4-nitro-2-[(2-phenylhydrazinyl)methyl]phenol
CID 169385238
methyl 2-nitro-6-[(2-phenylhydrazinyl)methyl]benzoate
CID 169386668
2-methoxy-3-nitro-5-[(2-phenylhydrazinyl)methyl]phenol
CID 169386673
2-[(2-hydroxy-5-methylphenyl)methyl]-4-methyl-6-nitrophenol
CID 15574255
1-[(2-fluoro-5-nitrophenyl)methyl]-2-phenylhydrazine
CID 169384410
1-[[2-(4-methylphenyl)sulfanyl-5-nitrophenyl]methyl]-2-phenylhydrazine
CID 169385478
1-[(4-fluoro-3-nitrophenyl)methyl]-2-phenylhydrazine
CID 169384360
2-methyl-4,6-dinitrophenol;phenylhydrazine
CID 87772567
5-methyl-3-nitrobenzene-1,2-diol
CID 3976897
N-ethylaniline;2,4,6-trinitrophenol
CID 121004377
3-[(2-phenylhydrazinyl)methyl]benzene-1,2-diol
CID 169384433

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-nitro-6-[(2-phenylhydrazinyl)methyl]phenol?
The IUPAC name of 4-methyl-2-nitro-6-[(2-phenylhydrazinyl)methyl]phenol (CID 169385221) is 4-methyl-2-nitro-6-[(2-phenylhydrazinyl)methyl]phenol.
What is the SMILES notation for 4-methyl-2-nitro-6-[(2-phenylhydrazinyl)methyl]phenol?
The canonical SMILES for 4-methyl-2-nitro-6-[(2-phenylhydrazinyl)methyl]phenol is Cc1cc(CNNc2ccccc2)c(O)c([N+](=O)[O-])c1.
What is the InChIKey of 4-methyl-2-nitro-6-[(2-phenylhydrazinyl)methyl]phenol?
The InChIKey is LPFUTQADLKKBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-10-7-11(14(18)13(8-10)17(19)20)9-15-16-12-5-3-2-4-6-12/h2-8,15-16,18H,9H2,1H3.
What are the key properties of 4-methyl-2-nitro-6-[(2-phenylhydrazinyl)methyl]phenol?
4-methyl-2-nitro-6-[(2-phenylhydrazinyl)methyl]phenol has a molecular weight of 273.29 g/mol, XLogP of 2.73, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-nitro-6-[(2-phenylhydrazinyl)methyl]phenol is sourced from PubChem (CID 169385221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).