3-[(2-phenylhydrazinyl)methyl]benzene-1,2-diol

C13H14N2O2 — CID 169384433

IUPAC3-[(2-phenylhydrazinyl)methyl]benzene-1,2-diol
SMILESOc1cccc(CNNc2ccccc2)c1O
InChIInChI=1S/C13H14N2O2/c16-12-8-4-5-10(13(12)17)9-14-15-11-6-2-1-3-7-11/h1-8,14-17H,9H2
InChIKeyROXFUMCILPGOIY-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.21
Rot. Bonds4

About 3-[(2-phenylhydrazinyl)methyl]benzene-1,2-diol

3-[(2-phenylhydrazinyl)methyl]benzene-1,2-diol (PubChem CID 169384433) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 3-[(2-phenylhydrazinyl)methyl]benzene-1,2-diol.

Molecular Properties

Compound Name3-[(2-phenylhydrazinyl)methyl]benzene-1,2-diol
PubChem CID169384433
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name3-[(2-phenylhydrazinyl)methyl]benzene-1,2-diol
SMILESOc1cccc(CNNc2ccccc2)c1O
InChIInChI=1S/C13H14N2O2/c16-12-8-4-5-10(13(12)17)9-14-15-11-6-2-1-3-7-11/h1-8,14-17H,9H2
InChIKeyROXFUMCILPGOIY-UHFFFAOYSA-N
XLogP2.21
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-tert-butyl-6-[(2-phenylhydrazinyl)methyl]phenol
CID 169384285
2,3-dimethyl-6-[(2-phenylhydrazinyl)methyl]phenol
CID 169385241
3-[[(2-hydroxyphenyl)methylamino]methyl]benzene-1,2-diol
CID 114331529
1-[(2,3-dimethylphenyl)methyl]-2-phenylhydrazine
CID 169384408
1-[(2,3-difluorophenyl)methyl]-2-phenylhydrazine
CID 169384437
3-iodo-2-[(2-phenylhydrazinyl)methyl]phenol
CID 169387063
2-fluoro-6-[(2-phenylhydrazinyl)methyl]benzoic acid
CID 169387158
2-bromo-6-[(2-phenylhydrazinyl)methyl]benzoic acid
CID 169387165
2-[(2-phenylhydrazinyl)methyl]benzenesulfonic acid
CID 169384301
4-(4-fluorophenyl)-2-[(2-phenylhydrazinyl)methyl]phenol
CID 169387199
N-[(2,3-dihydroxyphenyl)methyl]benzamide
CID 143948328
4-(1-adamantyl)-2-[(2-phenylhydrazinyl)methyl]phenol
CID 169386127

Frequently Asked Questions

What is the IUPAC name of 3-[(2-phenylhydrazinyl)methyl]benzene-1,2-diol?
The IUPAC name of 3-[(2-phenylhydrazinyl)methyl]benzene-1,2-diol (CID 169384433) is 3-[(2-phenylhydrazinyl)methyl]benzene-1,2-diol.
What is the SMILES notation for 3-[(2-phenylhydrazinyl)methyl]benzene-1,2-diol?
The canonical SMILES for 3-[(2-phenylhydrazinyl)methyl]benzene-1,2-diol is Oc1cccc(CNNc2ccccc2)c1O.
What is the InChIKey of 3-[(2-phenylhydrazinyl)methyl]benzene-1,2-diol?
The InChIKey is ROXFUMCILPGOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c16-12-8-4-5-10(13(12)17)9-14-15-11-6-2-1-3-7-11/h1-8,14-17H,9H2.
What are the key properties of 3-[(2-phenylhydrazinyl)methyl]benzene-1,2-diol?
3-[(2-phenylhydrazinyl)methyl]benzene-1,2-diol has a molecular weight of 230.27 g/mol, XLogP of 2.21, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-phenylhydrazinyl)methyl]benzene-1,2-diol is sourced from PubChem (CID 169384433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).