1-(2-hydroxy-4-nitrophenyl)-3-(2-methylphenyl)urea

C14H13N3O4 — CID 22011319

IUPAC1-(2-hydroxy-4-nitrophenyl)-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)Nc1ccc([N+](=O)[O-])cc1O
InChIInChI=1S/C14H13N3O4/c1-9-4-2-3-5-11(9)15-14(19)16-12-7-6-10(17(20)21)8-13(12)18/h2-8,18H,1H3,(H2,15,16,19)
InChIKeyJDKDJPABXADLJT-UHFFFAOYSA-N
MW287.28 g/mol
LogP3.25
Rot. Bonds3

About 1-(2-hydroxy-4-nitrophenyl)-3-(2-methylphenyl)urea

1-(2-hydroxy-4-nitrophenyl)-3-(2-methylphenyl)urea (PubChem CID 22011319) has the molecular formula C14H13N3O4 and a molecular weight of 287.28 g/mol. Its IUPAC name is 1-(2-hydroxy-4-nitrophenyl)-3-(2-methylphenyl)urea.

Molecular Properties

Compound Name1-(2-hydroxy-4-nitrophenyl)-3-(2-methylphenyl)urea
PubChem CID22011319
Molecular FormulaC14H13N3O4
Molecular Weight287.28 g/mol
Exact Mass287.09
IUPAC Name1-(2-hydroxy-4-nitrophenyl)-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)Nc1ccc([N+](=O)[O-])cc1O
InChIInChI=1S/C14H13N3O4/c1-9-4-2-3-5-11(9)15-14(19)16-12-7-6-10(17(20)21)8-13(12)18/h2-8,18H,1H3,(H2,15,16,19)
InChIKeyJDKDJPABXADLJT-UHFFFAOYSA-N
XLogP3.25
TPSA104.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', '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

Icilin
CID 161930
Sb 225002
CID 3854666
1-(2-Hydroxy-4-nitrophenyl)-3-phenylurea
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CID 3431797
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N-(2-hydroxy-4-nitrophenyl) N'-(2-chlorophenyl)urea
CID 9883044
1-(2-Hydroxy-4-nitrophenyl)-3-(2-propan-2-ylphenyl)urea
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N-(2-hydroxy-4-nitrophenyl)-N'-(2-ethylphenyl)urea
CID 21184795
3-(2-Hydroxy-5-methylphenyl)-6-(3-nitrophenyl)-1,4-dihydropyrimidin-2-one
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N-(3-Hydroxy-phenyl)-N''-(2-methyl-4-nitro-phenyl)-guanidine
CID 14771728
1-(2-Hydroxy-4-nitrophenyl)-3-(2-propylphenyl)urea
CID 46196416
1-(2-Hydroxy-4-nitrophenyl)-3-[2-(2-methylpropyl)phenyl]urea
CID 46226874

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-4-nitrophenyl)-3-(2-methylphenyl)urea?
The IUPAC name of 1-(2-hydroxy-4-nitrophenyl)-3-(2-methylphenyl)urea (CID 22011319) is 1-(2-hydroxy-4-nitrophenyl)-3-(2-methylphenyl)urea.
What is the SMILES notation for 1-(2-hydroxy-4-nitrophenyl)-3-(2-methylphenyl)urea?
The canonical SMILES for 1-(2-hydroxy-4-nitrophenyl)-3-(2-methylphenyl)urea is Cc1ccccc1NC(=O)Nc1ccc([N+](=O)[O-])cc1O.
What is the InChIKey of 1-(2-hydroxy-4-nitrophenyl)-3-(2-methylphenyl)urea?
The InChIKey is JDKDJPABXADLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4/c1-9-4-2-3-5-11(9)15-14(19)16-12-7-6-10(17(20)21)8-13(12)18/h2-8,18H,1H3,(H2,15,16,19).
What are the key properties of 1-(2-hydroxy-4-nitrophenyl)-3-(2-methylphenyl)urea?
1-(2-hydroxy-4-nitrophenyl)-3-(2-methylphenyl)urea has a molecular weight of 287.28 g/mol, XLogP of 3.25, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-4-nitrophenyl)-3-(2-methylphenyl)urea is sourced from PubChem (CID 22011319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).