1-(3-hydroxyphenyl)-2-(2-methyl-4-nitrophenyl)guanidine

C14H14N4O3 — CID 14771728

IUPAC1-(3-hydroxyphenyl)-2-(2-methyl-4-nitrophenyl)guanidine
SMILESCc1cc([N+](=O)[O-])ccc1/N=C(\N)Nc1cccc(O)c1
InChIInChI=1S/C14H14N4O3/c1-9-7-11(18(20)21)5-6-13(9)17-14(15)16-10-3-2-4-12(19)8-10/h2-8,19H,1H3,(H3,15,16,17)
InChIKeyQYEYTDXVFLAODC-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.67
Rot. Bonds3

About 1-(3-hydroxyphenyl)-2-(2-methyl-4-nitrophenyl)guanidine

1-(3-hydroxyphenyl)-2-(2-methyl-4-nitrophenyl)guanidine (PubChem CID 14771728) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is 1-(3-hydroxyphenyl)-2-(2-methyl-4-nitrophenyl)guanidine.

Molecular Properties

Compound Name1-(3-hydroxyphenyl)-2-(2-methyl-4-nitrophenyl)guanidine
PubChem CID14771728
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Name1-(3-hydroxyphenyl)-2-(2-methyl-4-nitrophenyl)guanidine
SMILESCc1cc([N+](=O)[O-])ccc1/N=C(\N)Nc1cccc(O)c1
InChIInChI=1S/C14H14N4O3/c1-9-7-11(18(20)21)5-6-13(9)17-14(15)16-10-3-2-4-12(19)8-10/h2-8,19H,1H3,(H3,15,16,17)
InChIKeyQYEYTDXVFLAODC-UHFFFAOYSA-N
XLogP2.67
TPSA113.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxyphenyl)-2-(2-methyl-4-nitrophenyl)guanidine?
The IUPAC name of 1-(3-hydroxyphenyl)-2-(2-methyl-4-nitrophenyl)guanidine (CID 14771728) is 1-(3-hydroxyphenyl)-2-(2-methyl-4-nitrophenyl)guanidine.
What is the SMILES notation for 1-(3-hydroxyphenyl)-2-(2-methyl-4-nitrophenyl)guanidine?
The canonical SMILES for 1-(3-hydroxyphenyl)-2-(2-methyl-4-nitrophenyl)guanidine is Cc1cc([N+](=O)[O-])ccc1/N=C(\N)Nc1cccc(O)c1.
What is the InChIKey of 1-(3-hydroxyphenyl)-2-(2-methyl-4-nitrophenyl)guanidine?
The InChIKey is QYEYTDXVFLAODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c1-9-7-11(18(20)21)5-6-13(9)17-14(15)16-10-3-2-4-12(19)8-10/h2-8,19H,1H3,(H3,15,16,17).
What are the key properties of 1-(3-hydroxyphenyl)-2-(2-methyl-4-nitrophenyl)guanidine?
1-(3-hydroxyphenyl)-2-(2-methyl-4-nitrophenyl)guanidine has a molecular weight of 286.29 g/mol, XLogP of 2.67, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxyphenyl)-2-(2-methyl-4-nitrophenyl)guanidine is sourced from PubChem (CID 14771728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).