2-(5-ethyl-2-hydroxyphenyl)guanidine

C9H13N3O — CID 151948235

IUPAC2-(5-ethyl-2-hydroxyphenyl)guanidine
SMILESCCc1ccc(O)c(N=C(N)N)c1
InChIInChI=1S/C9H13N3O/c1-2-6-3-4-8(13)7(5-6)12-9(10)11/h3-5,13H,2H2,1H3,(H4,10,11,12)
InChIKeyTWBZOLKXIZHFCJ-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.86
Rot. Bonds2

About 2-(5-ethyl-2-hydroxyphenyl)guanidine

2-(5-ethyl-2-hydroxyphenyl)guanidine (PubChem CID 151948235) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-(5-ethyl-2-hydroxyphenyl)guanidine.

Molecular Properties

Compound Name2-(5-ethyl-2-hydroxyphenyl)guanidine
PubChem CID151948235
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name2-(5-ethyl-2-hydroxyphenyl)guanidine
SMILESCCc1ccc(O)c(N=C(N)N)c1
InChIInChI=1S/C9H13N3O/c1-2-6-3-4-8(13)7(5-6)12-9(10)11/h3-5,13H,2H2,1H3,(H4,10,11,12)
InChIKeyTWBZOLKXIZHFCJ-UHFFFAOYSA-N
XLogP0.86
TPSA84.63 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.86
H-Bond Donors ≤ 53
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 2-(5-ethyl-2-hydroxyphenyl)guanidine?
The IUPAC name of 2-(5-ethyl-2-hydroxyphenyl)guanidine (CID 151948235) is 2-(5-ethyl-2-hydroxyphenyl)guanidine.
What is the SMILES notation for 2-(5-ethyl-2-hydroxyphenyl)guanidine?
The canonical SMILES for 2-(5-ethyl-2-hydroxyphenyl)guanidine is CCc1ccc(O)c(N=C(N)N)c1.
What is the InChIKey of 2-(5-ethyl-2-hydroxyphenyl)guanidine?
The InChIKey is TWBZOLKXIZHFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-2-6-3-4-8(13)7(5-6)12-9(10)11/h3-5,13H,2H2,1H3,(H4,10,11,12).
What are the key properties of 2-(5-ethyl-2-hydroxyphenyl)guanidine?
2-(5-ethyl-2-hydroxyphenyl)guanidine has a molecular weight of 179.22 g/mol, XLogP of 0.86, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-2-hydroxyphenyl)guanidine is sourced from PubChem (CID 151948235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).