2-(5-formyl-2-hydroxy-3-methoxyphenyl)guanidine

C9H11N3O3 — CID 118871773

IUPAC2-(5-formyl-2-hydroxy-3-methoxyphenyl)guanidine
SMILESCOc1cc(C=O)cc(N=C(N)N)c1O
InChIInChI=1S/C9H11N3O3/c1-15-7-3-5(4-13)2-6(8(7)14)12-9(10)11/h2-4,14H,1H3,(H4,10,11,12)
InChIKeyLYXZUGHSMSEYOT-UHFFFAOYSA-N
MW209.21 g/mol
LogP0.12
Rot. Bonds3

About 2-(5-formyl-2-hydroxy-3-methoxyphenyl)guanidine

2-(5-formyl-2-hydroxy-3-methoxyphenyl)guanidine (PubChem CID 118871773) has the molecular formula C9H11N3O3 and a molecular weight of 209.21 g/mol. Its IUPAC name is 2-(5-formyl-2-hydroxy-3-methoxyphenyl)guanidine.

Molecular Properties

Compound Name2-(5-formyl-2-hydroxy-3-methoxyphenyl)guanidine
PubChem CID118871773
Molecular FormulaC9H11N3O3
Molecular Weight209.21 g/mol
Exact Mass209.08
IUPAC Name2-(5-formyl-2-hydroxy-3-methoxyphenyl)guanidine
SMILESCOc1cc(C=O)cc(N=C(N)N)c1O
InChIInChI=1S/C9H11N3O3/c1-15-7-3-5(4-13)2-6(8(7)14)12-9(10)11/h2-4,14H,1H3,(H4,10,11,12)
InChIKeyLYXZUGHSMSEYOT-UHFFFAOYSA-N
XLogP0.12
TPSA110.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-formyl-2-hydroxy-3-methoxybenzonitrile
CID 18359065
3-ethoxy-4-hydroxy-5-methoxybenzaldehyde
CID 58629750
4-hydroxy-3-methoxy-5-(2-trimethylsilylethynyl)benzaldehyde
CID 166491922
4-hydroxy-3-methoxy-5-[(2-oxochromen-6-yl)diazenyl]benzaldehyde
CID 136753931
sodium 5-formyl-2-hydroxy-3-methoxybenzoate
CID 23721913
3-[2-[(5-formyl-2-hydroxy-3-methoxyphenyl)methylideneamino]ethyliminomethyl]-4-hydroxy-5-methoxybenzaldehyde
CID 136617808
ethyl 5-formyl-2-hydroxy-3-methoxybenzoate
CID 76851767
3-(5-formyl-2-hydroxy-3-methoxyphenyl)prop-2-enenitrile
CID 169483942
2-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]guanidine
CID 2387812
(E)-(diaminomethylideneamino)-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]azanium
CID 135852459
ethane;3,4,5-trimethoxybenzaldehyde
CID 143400832
4-iodo-3,5-dimethoxybenzaldehyde
CID 11300800

Frequently Asked Questions

What is the IUPAC name of 2-(5-formyl-2-hydroxy-3-methoxyphenyl)guanidine?
The IUPAC name of 2-(5-formyl-2-hydroxy-3-methoxyphenyl)guanidine (CID 118871773) is 2-(5-formyl-2-hydroxy-3-methoxyphenyl)guanidine.
What is the SMILES notation for 2-(5-formyl-2-hydroxy-3-methoxyphenyl)guanidine?
The canonical SMILES for 2-(5-formyl-2-hydroxy-3-methoxyphenyl)guanidine is COc1cc(C=O)cc(N=C(N)N)c1O.
What is the InChIKey of 2-(5-formyl-2-hydroxy-3-methoxyphenyl)guanidine?
The InChIKey is LYXZUGHSMSEYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c1-15-7-3-5(4-13)2-6(8(7)14)12-9(10)11/h2-4,14H,1H3,(H4,10,11,12).
What are the key properties of 2-(5-formyl-2-hydroxy-3-methoxyphenyl)guanidine?
2-(5-formyl-2-hydroxy-3-methoxyphenyl)guanidine has a molecular weight of 209.21 g/mol, XLogP of 0.12, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-formyl-2-hydroxy-3-methoxyphenyl)guanidine is sourced from PubChem (CID 118871773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).