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

C15H18N2O — CID 169385241

IUPAC2,3-dimethyl-6-[(2-phenylhydrazinyl)methyl]phenol
SMILESCc1ccc(CNNc2ccccc2)c(O)c1C
InChIInChI=1S/C15H18N2O/c1-11-8-9-13(15(18)12(11)2)10-16-17-14-6-4-3-5-7-14/h3-9,16-18H,10H2,1-2H3
InChIKeyKGZLDJYTJZOHGL-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.13
Rot. Bonds4

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

2,3-dimethyl-6-[(2-phenylhydrazinyl)methyl]phenol (PubChem CID 169385241) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 2,3-dimethyl-6-[(2-phenylhydrazinyl)methyl]phenol.

Molecular Properties

Compound Name2,3-dimethyl-6-[(2-phenylhydrazinyl)methyl]phenol
PubChem CID169385241
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name2,3-dimethyl-6-[(2-phenylhydrazinyl)methyl]phenol
SMILESCc1ccc(CNNc2ccccc2)c(O)c1C
InChIInChI=1S/C15H18N2O/c1-11-8-9-13(15(18)12(11)2)10-16-17-14-6-4-3-5-7-14/h3-9,16-18H,10H2,1-2H3
InChIKeyKGZLDJYTJZOHGL-UHFFFAOYSA-N
XLogP3.13
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(2,3-dimethylphenyl)methyl]-2-phenylhydrazine
CID 169384408
3-[(2-phenylhydrazinyl)methyl]benzene-1,2-diol
CID 169384433
1-[(2,4-dimethylphenyl)methyl]-2-phenylhydrazine
CID 169384445
6-[(hydroxyamino)methyl]-2,3-dimethylphenol
CID 117276536
2-tert-butyl-6-[(2-phenylhydrazinyl)methyl]phenol
CID 169384285
1-[(5-fluoro-2-methylphenyl)methyl]-2-phenylhydrazine
CID 169384413
4-methyl-2-nitro-6-[(2-phenylhydrazinyl)methyl]phenol
CID 169385221
5-(4-methylsulfanylphenyl)-2-[(2-phenylhydrazinyl)methyl]phenol
CID 169385575
3,6-dimethyl-4-nitro-2-[(2-phenylhydrazinyl)methyl]phenol
CID 169385238
4-methoxy-3,5-dimethyl-2-[(2-phenylhydrazinyl)methyl]phenol
CID 169385232
1-[(2-chloro-4-fluoro-5-methylphenyl)methyl]-2-phenylhydrazine
CID 169386722
2-methoxy-6-[(2-phenylhydrazinyl)methyl]-4-propan-2-ylphenol
CID 169385201

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-6-[(2-phenylhydrazinyl)methyl]phenol?
The IUPAC name of 2,3-dimethyl-6-[(2-phenylhydrazinyl)methyl]phenol (CID 169385241) is 2,3-dimethyl-6-[(2-phenylhydrazinyl)methyl]phenol.
What is the SMILES notation for 2,3-dimethyl-6-[(2-phenylhydrazinyl)methyl]phenol?
The canonical SMILES for 2,3-dimethyl-6-[(2-phenylhydrazinyl)methyl]phenol is Cc1ccc(CNNc2ccccc2)c(O)c1C.
What is the InChIKey of 2,3-dimethyl-6-[(2-phenylhydrazinyl)methyl]phenol?
The InChIKey is KGZLDJYTJZOHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-11-8-9-13(15(18)12(11)2)10-16-17-14-6-4-3-5-7-14/h3-9,16-18H,10H2,1-2H3.
What are the key properties of 2,3-dimethyl-6-[(2-phenylhydrazinyl)methyl]phenol?
2,3-dimethyl-6-[(2-phenylhydrazinyl)methyl]phenol has a molecular weight of 242.32 g/mol, XLogP of 3.13, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-6-[(2-phenylhydrazinyl)methyl]phenol is sourced from PubChem (CID 169385241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).