2-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]phenol

C14H14N2O — CID 135401303

IUPAC2-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]phenol
SMILESCc1cccc(N/N=C/c2ccccc2O)c1
InChIInChI=1S/C14H14N2O/c1-11-5-4-7-13(9-11)16-15-10-12-6-2-3-8-14(12)17/h2-10,16-17H,1H3/b15-10+
InChIKeyBYWBTFMAPMSBSB-XNTDXEJSSA-N
MW226.28 g/mol
LogP3.15
Rot. Bonds3

About 2-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]phenol

2-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]phenol (PubChem CID 135401303) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]phenol
PubChem CID135401303
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name2-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]phenol
SMILESCc1cccc(N/N=C/c2ccccc2O)c1
InChIInChI=1S/C14H14N2O/c1-11-5-4-7-13(9-11)16-15-10-12-6-2-3-8-14(12)17/h2-10,16-17H,1H3/b15-10+
InChIKeyBYWBTFMAPMSBSB-XNTDXEJSSA-N
XLogP3.15
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Salicylideneaniline
CID 136621
Salicylaldehyde phenylhydrazone
CID 135401296
2-Hydroxybenzaldehyde (4-nitrophenyl)hydrazone
CID 135509553
N-Phenyl-N'-(4-hydroxybenzylidene) hydrazine
CID 135519945
Mls002920165
CID 280649
3-Fluoro-N-(2-hydroxybenzylidene)aniline
CID 3827791
4-[(E)-C-methyl-N-[3-(trifluoromethyl)anilino]carbonimidoyl]phenol
CID 135519978
2-[(E)-N-(2,4-difluoroanilino)-C-methylcarbonimidoyl]phenol
CID 135519991
4-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]benzene-1,2,3-triol
CID 135679290
4-Nitro-2-[(3-nitro-phenyl)-hydrazonomethyl]-phenol
CID 135439762
3-Hydroxybenzaldehyde (4-nitrophenyl)hydrazone
CID 9599641
4-Nitro-2-[(2-nitro-phenyl)-hydrazonomethyl]-phenol
CID 135403145

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]phenol?
The IUPAC name of 2-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]phenol (CID 135401303) is 2-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]phenol is Cc1cccc(N/N=C/c2ccccc2O)c1.
What is the InChIKey of 2-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]phenol?
The InChIKey is BYWBTFMAPMSBSB-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H14N2O/c1-11-5-4-7-13(9-11)16-15-10-12-6-2-3-8-14(12)17/h2-10,16-17H,1H3/b15-10+.
What are the key properties of 2-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]phenol?
2-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]phenol has a molecular weight of 226.28 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135401303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).