N'-(2-hydroxy-4-methylphenyl)benzenecarboximidamide

C14H14N2O — CID 12720151

IUPACN'-(2-hydroxy-4-methylphenyl)benzenecarboximidamide
SMILESCc1ccc(/N=C(\N)c2ccccc2)c(O)c1
InChIInChI=1S/C14H14N2O/c1-10-7-8-12(13(17)9-10)16-14(15)11-5-3-2-4-6-11/h2-9,17H,1H3,(H2,15,16)
InChIKeySMQPSJJFHRDPII-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.74
Rot. Bonds2

About N'-(2-hydroxy-4-methylphenyl)benzenecarboximidamide

N'-(2-hydroxy-4-methylphenyl)benzenecarboximidamide (PubChem CID 12720151) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is N'-(2-hydroxy-4-methylphenyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-(2-hydroxy-4-methylphenyl)benzenecarboximidamide
PubChem CID12720151
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC NameN'-(2-hydroxy-4-methylphenyl)benzenecarboximidamide
SMILESCc1ccc(/N=C(\N)c2ccccc2)c(O)c1
InChIInChI=1S/C14H14N2O/c1-10-7-8-12(13(17)9-10)16-14(15)11-5-3-2-4-6-11/h2-9,17H,1H3,(H2,15,16)
InChIKeySMQPSJJFHRDPII-UHFFFAOYSA-N
XLogP2.74
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2-hydroxy-4-methylphenyl)benzenecarboximidamide?
The IUPAC name of N'-(2-hydroxy-4-methylphenyl)benzenecarboximidamide (CID 12720151) is N'-(2-hydroxy-4-methylphenyl)benzenecarboximidamide.
What is the SMILES notation for N'-(2-hydroxy-4-methylphenyl)benzenecarboximidamide?
The canonical SMILES for N'-(2-hydroxy-4-methylphenyl)benzenecarboximidamide is Cc1ccc(/N=C(\N)c2ccccc2)c(O)c1.
What is the InChIKey of N'-(2-hydroxy-4-methylphenyl)benzenecarboximidamide?
The InChIKey is SMQPSJJFHRDPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-10-7-8-12(13(17)9-10)16-14(15)11-5-3-2-4-6-11/h2-9,17H,1H3,(H2,15,16).
What are the key properties of N'-(2-hydroxy-4-methylphenyl)benzenecarboximidamide?
N'-(2-hydroxy-4-methylphenyl)benzenecarboximidamide has a molecular weight of 226.28 g/mol, XLogP of 2.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-hydroxy-4-methylphenyl)benzenecarboximidamide is sourced from PubChem (CID 12720151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).