3,6-dimethyl-4-nitro-2-[(2-phenylhydrazinyl)methyl]phenol

C15H17N3O3 — CID 169385238

IUPAC3,6-dimethyl-4-nitro-2-[(2-phenylhydrazinyl)methyl]phenol
SMILESCc1cc([N+](=O)[O-])c(C)c(CNNc2ccccc2)c1O
InChIInChI=1S/C15H17N3O3/c1-10-8-14(18(20)21)11(2)13(15(10)19)9-16-17-12-6-4-3-5-7-12/h3-8,16-17,19H,9H2,1-2H3
InChIKeyZPVIFJFZVCDVLK-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.03
Rot. Bonds5

About 3,6-dimethyl-4-nitro-2-[(2-phenylhydrazinyl)methyl]phenol

3,6-dimethyl-4-nitro-2-[(2-phenylhydrazinyl)methyl]phenol (PubChem CID 169385238) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 3,6-dimethyl-4-nitro-2-[(2-phenylhydrazinyl)methyl]phenol.

Molecular Properties

Compound Name3,6-dimethyl-4-nitro-2-[(2-phenylhydrazinyl)methyl]phenol
PubChem CID169385238
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name3,6-dimethyl-4-nitro-2-[(2-phenylhydrazinyl)methyl]phenol
SMILESCc1cc([N+](=O)[O-])c(C)c(CNNc2ccccc2)c1O
InChIInChI=1S/C15H17N3O3/c1-10-8-14(18(20)21)11(2)13(15(10)19)9-16-17-12-6-4-3-5-7-12/h3-8,16-17,19H,9H2,1-2H3
InChIKeyZPVIFJFZVCDVLK-UHFFFAOYSA-N
XLogP3.03
TPSA87.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.03
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-methyl-2-nitro-6-[(2-phenylhydrazinyl)methyl]phenol
CID 169385221
4-nitro-6-[(2-phenylhydrazinyl)methyl]benzene-1,3-diol
CID 169386178
2-methoxy-3-nitro-5-[(2-phenylhydrazinyl)methyl]phenol
CID 169386673
1-[(4-fluoro-3-nitrophenyl)methyl]-2-phenylhydrazine
CID 169384360
2-methyl-4,6-dinitrophenol;phenylhydrazine
CID 87772567
4-methoxy-3,5-dimethyl-2-[(2-phenylhydrazinyl)methyl]phenol
CID 169385232
methyl 2-nitro-6-[(2-phenylhydrazinyl)methyl]benzoate
CID 169386668
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-hydroxy-3,6-dimethyl-5-nitrophenyl)propanoic acid
CID 170882825
N-ethylaniline;2,4,6-trinitrophenol
CID 121004377
N-benzyl-4,5-dimethyl-2-nitroaniline
CID 15256881
2-methyl-4,6-dinitrophenol;2-methyl-1,3,5-trinitrobenzene
CID 87639053
2,6-dihydroxy-3-methyl-5-nitrobenzoic acid
CID 139932552

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-4-nitro-2-[(2-phenylhydrazinyl)methyl]phenol?
The IUPAC name of 3,6-dimethyl-4-nitro-2-[(2-phenylhydrazinyl)methyl]phenol (CID 169385238) is 3,6-dimethyl-4-nitro-2-[(2-phenylhydrazinyl)methyl]phenol.
What is the SMILES notation for 3,6-dimethyl-4-nitro-2-[(2-phenylhydrazinyl)methyl]phenol?
The canonical SMILES for 3,6-dimethyl-4-nitro-2-[(2-phenylhydrazinyl)methyl]phenol is Cc1cc([N+](=O)[O-])c(C)c(CNNc2ccccc2)c1O.
What is the InChIKey of 3,6-dimethyl-4-nitro-2-[(2-phenylhydrazinyl)methyl]phenol?
The InChIKey is ZPVIFJFZVCDVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-10-8-14(18(20)21)11(2)13(15(10)19)9-16-17-12-6-4-3-5-7-12/h3-8,16-17,19H,9H2,1-2H3.
What are the key properties of 3,6-dimethyl-4-nitro-2-[(2-phenylhydrazinyl)methyl]phenol?
3,6-dimethyl-4-nitro-2-[(2-phenylhydrazinyl)methyl]phenol has a molecular weight of 287.32 g/mol, XLogP of 3.03, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-4-nitro-2-[(2-phenylhydrazinyl)methyl]phenol is sourced from PubChem (CID 169385238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).