2-(5-hydroxy-2-methylphenyl)guanidine

C8H11N3O — CID 162345469

IUPAC2-(5-hydroxy-2-methylphenyl)guanidine
SMILESCc1ccc(O)cc1N=C(N)N
InChIInChI=1S/C8H11N3O/c1-5-2-3-6(12)4-7(5)11-8(9)10/h2-4,12H,1H3,(H4,9,10,11)
InChIKeyRHYFAWBVTCMXHL-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.61
Rot. Bonds1

About 2-(5-hydroxy-2-methylphenyl)guanidine

2-(5-hydroxy-2-methylphenyl)guanidine (PubChem CID 162345469) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 2-(5-hydroxy-2-methylphenyl)guanidine.

Molecular Properties

Compound Name2-(5-hydroxy-2-methylphenyl)guanidine
PubChem CID162345469
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name2-(5-hydroxy-2-methylphenyl)guanidine
SMILESCc1ccc(O)cc1N=C(N)N
InChIInChI=1S/C8H11N3O/c1-5-2-3-6(12)4-7(5)11-8(9)10/h2-4,12H,1H3,(H4,9,10,11)
InChIKeyRHYFAWBVTCMXHL-UHFFFAOYSA-N
XLogP0.61
TPSA84.63 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 2-(5-hydroxy-2-methylphenyl)guanidine?
The IUPAC name of 2-(5-hydroxy-2-methylphenyl)guanidine (CID 162345469) is 2-(5-hydroxy-2-methylphenyl)guanidine.
What is the SMILES notation for 2-(5-hydroxy-2-methylphenyl)guanidine?
The canonical SMILES for 2-(5-hydroxy-2-methylphenyl)guanidine is Cc1ccc(O)cc1N=C(N)N.
What is the InChIKey of 2-(5-hydroxy-2-methylphenyl)guanidine?
The InChIKey is RHYFAWBVTCMXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-5-2-3-6(12)4-7(5)11-8(9)10/h2-4,12H,1H3,(H4,9,10,11).
What are the key properties of 2-(5-hydroxy-2-methylphenyl)guanidine?
2-(5-hydroxy-2-methylphenyl)guanidine has a molecular weight of 165.20 g/mol, XLogP of 0.61, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-hydroxy-2-methylphenyl)guanidine is sourced from PubChem (CID 162345469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).