2-[4-(2-hydroxyethoxy)-3,5-dimethoxyphenyl]guanidine;nitric acid

C11H18N4O7 — CID 173248629

IUPAC2-[4-(2-hydroxyethoxy)-3,5-dimethoxyphenyl]guanidine;nitric acid
SMILESCOc1cc(N=C(N)N)cc(OC)c1OCCO.O=[N+]([O-])O
InChIInChI=1S/C11H17N3O4.HNO3/c1-16-8-5-7(14-11(12)13)6-9(17-2)10(8)18-4-3-15;2-1(3)4/h5-6,15H,3-4H2,1-2H3,(H4,12,13,14);(H,2,3,4)
InChIKeyMQUXLIPLZMKYOJ-UHFFFAOYSA-N
MW318.29 g/mol
LogP-0.37
Rot. Bonds6

About 2-[4-(2-hydroxyethoxy)-3,5-dimethoxyphenyl]guanidine;nitric acid

2-[4-(2-hydroxyethoxy)-3,5-dimethoxyphenyl]guanidine;nitric acid (PubChem CID 173248629) has the molecular formula C11H18N4O7 and a molecular weight of 318.29 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethoxy)-3,5-dimethoxyphenyl]guanidine;nitric acid.

Molecular Properties

Compound Name2-[4-(2-hydroxyethoxy)-3,5-dimethoxyphenyl]guanidine;nitric acid
PubChem CID173248629
Molecular FormulaC11H18N4O7
Molecular Weight318.29 g/mol
Exact Mass318.12
IUPAC Name2-[4-(2-hydroxyethoxy)-3,5-dimethoxyphenyl]guanidine;nitric acid
SMILESCOc1cc(N=C(N)N)cc(OC)c1OCCO.O=[N+]([O-])O
InChIInChI=1S/C11H17N3O4.HNO3/c1-16-8-5-7(14-11(12)13)6-9(17-2)10(8)18-4-3-15;2-1(3)4/h5-6,15H,3-4H2,1-2H3,(H4,12,13,14);(H,2,3,4)
InChIKeyMQUXLIPLZMKYOJ-UHFFFAOYSA-N
XLogP-0.37
TPSA175.69 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.29
LogP ≤ 5-0.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3,4,5-trimethoxyphenyl)guanidine
CID 10198427
methyl 4-(2-hydroxyethoxy)-3,5-dimethoxybenzoate
CID 122501384
2-(3-methoxyphenyl)guanidine;nitric acid
CID 67005874
2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]guanidine;bis(nitric acid)
CID 86632605
1,5-bis[4-(2-hydroxyethoxy)-3,5-dimethoxyphenyl]penta-1,4-dien-3-one
CID 67519396
2-(3-methoxy-4-nitrophenoxy)ethanol
CID 66759614
2-(4-methylphenyl)guanidine;nitric acid
CID 12910055
3-(2-hydroxyethoxy)-2-methyl-5-nitrophenol
CID 19940167
4-butoxy-3,5-dimethoxybenzamide
CID 3027029
2-[2-methoxy-6-methylsulfonyl-4-[(2S,5S)-5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenoxy]ethanol
CID 12044495
2-[(Z)-(3-methoxy-5-nitro-4-pentoxyphenyl)methylideneamino]guanidine
CID 110537469
2-[4-[(E)-hydroxyiminomethyl]-2-iodo-6-methoxyphenoxy]ethanol
CID 19617662

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethoxy)-3,5-dimethoxyphenyl]guanidine;nitric acid?
The IUPAC name of 2-[4-(2-hydroxyethoxy)-3,5-dimethoxyphenyl]guanidine;nitric acid (CID 173248629) is 2-[4-(2-hydroxyethoxy)-3,5-dimethoxyphenyl]guanidine;nitric acid.
What is the SMILES notation for 2-[4-(2-hydroxyethoxy)-3,5-dimethoxyphenyl]guanidine;nitric acid?
The canonical SMILES for 2-[4-(2-hydroxyethoxy)-3,5-dimethoxyphenyl]guanidine;nitric acid is COc1cc(N=C(N)N)cc(OC)c1OCCO.O=[N+]([O-])O.
What is the InChIKey of 2-[4-(2-hydroxyethoxy)-3,5-dimethoxyphenyl]guanidine;nitric acid?
The InChIKey is MQUXLIPLZMKYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4.HNO3/c1-16-8-5-7(14-11(12)13)6-9(17-2)10(8)18-4-3-15;2-1(3)4/h5-6,15H,3-4H2,1-2H3,(H4,12,13,14);(H,2,3,4).
What are the key properties of 2-[4-(2-hydroxyethoxy)-3,5-dimethoxyphenyl]guanidine;nitric acid?
2-[4-(2-hydroxyethoxy)-3,5-dimethoxyphenyl]guanidine;nitric acid has a molecular weight of 318.29 g/mol, XLogP of -0.37, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyethoxy)-3,5-dimethoxyphenyl]guanidine;nitric acid is sourced from PubChem (CID 173248629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).