1-(2-hydroxy-4-nitrophenyl)-3-(2-propan-2-ylphenyl)urea

C16H17N3O4 — CID 21184765

IUPAC1-(2-hydroxy-4-nitrophenyl)-3-(2-propan-2-ylphenyl)urea
SMILESCC(C)c1ccccc1NC(=O)Nc1ccc([N+](=O)[O-])cc1O
InChIInChI=1S/C16H17N3O4/c1-10(2)12-5-3-4-6-13(12)17-16(21)18-14-8-7-11(19(22)23)9-15(14)20/h3-10,20H,1-2H3,(H2,17,18,21)
InChIKeyWWIQGLCYZLTJDC-UHFFFAOYSA-N
MW315.33 g/mol
LogP4.07
Rot. Bonds4

About 1-(2-hydroxy-4-nitrophenyl)-3-(2-propan-2-ylphenyl)urea

1-(2-hydroxy-4-nitrophenyl)-3-(2-propan-2-ylphenyl)urea (PubChem CID 21184765) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is 1-(2-hydroxy-4-nitrophenyl)-3-(2-propan-2-ylphenyl)urea.

Molecular Properties

Compound Name1-(2-hydroxy-4-nitrophenyl)-3-(2-propan-2-ylphenyl)urea
PubChem CID21184765
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC Name1-(2-hydroxy-4-nitrophenyl)-3-(2-propan-2-ylphenyl)urea
SMILESCC(C)c1ccccc1NC(=O)Nc1ccc([N+](=O)[O-])cc1O
InChIInChI=1S/C16H17N3O4/c1-10(2)12-5-3-4-6-13(12)17-16(21)18-14-8-7-11(19(22)23)9-15(14)20/h3-10,20H,1-2H3,(H2,17,18,21)
InChIKeyWWIQGLCYZLTJDC-UHFFFAOYSA-N
XLogP4.07
TPSA104.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 54.07
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

1-(2-Hydroxy-4-nitrophenyl)-3-phenylurea
CID 3618472
N-(2-hydroxy-4-nitrophenyl)-2,2-bis(4-methylphenyl)cyclopropanecarboxamide
CID 3375236
N-[(2-hydroxy-4-nitrophenyl)carbamothioyl]cyclohexanecarboxamide
CID 5017187
N-(2-hydroxy-4-nitrophenyl)-N'-(2-ethylphenyl)urea
CID 21184795
N-(2-hydroxy-4-nitrophenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide
CID 3105194
1-(2-Hydroxy-4-nitrophenyl)-3-(2-propylphenyl)urea
CID 46196416
1-(2-Hydroxy-4-nitrophenyl)-3-[2-(2-methylpropyl)phenyl]urea
CID 46226874
N-(2-hydroxy-4-nitrophenyl)-N'-(2-fluorophenyl)urea
CID 21184605
1-(2-Hydroxy-4-nitrophenyl)-3-(4-propylphenyl)urea
CID 21184782
N-(2-hydroxy 4-nitrophenyl) N'-(2-methylphenyl)urea
CID 22011319
(2E,4E,6E,8E)-N-(2-hydroxy-4-nitrophenyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
CID 16659241
1-[2,6-Di(propan-2-yl)phenyl]-3-(2-hydroxy-4-nitrophenyl)urea
CID 46226772

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-4-nitrophenyl)-3-(2-propan-2-ylphenyl)urea?
The IUPAC name of 1-(2-hydroxy-4-nitrophenyl)-3-(2-propan-2-ylphenyl)urea (CID 21184765) is 1-(2-hydroxy-4-nitrophenyl)-3-(2-propan-2-ylphenyl)urea.
What is the SMILES notation for 1-(2-hydroxy-4-nitrophenyl)-3-(2-propan-2-ylphenyl)urea?
The canonical SMILES for 1-(2-hydroxy-4-nitrophenyl)-3-(2-propan-2-ylphenyl)urea is CC(C)c1ccccc1NC(=O)Nc1ccc([N+](=O)[O-])cc1O.
What is the InChIKey of 1-(2-hydroxy-4-nitrophenyl)-3-(2-propan-2-ylphenyl)urea?
The InChIKey is WWIQGLCYZLTJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4/c1-10(2)12-5-3-4-6-13(12)17-16(21)18-14-8-7-11(19(22)23)9-15(14)20/h3-10,20H,1-2H3,(H2,17,18,21).
What are the key properties of 1-(2-hydroxy-4-nitrophenyl)-3-(2-propan-2-ylphenyl)urea?
1-(2-hydroxy-4-nitrophenyl)-3-(2-propan-2-ylphenyl)urea has a molecular weight of 315.33 g/mol, XLogP of 4.07, 4 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-propan-2-ylphenyl)urea is sourced from PubChem (CID 21184765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).