1-(4-hydroxyphenyl)-3-(4-nitrophenyl)urea

C13H11N3O4 — CID 5324383

IUPAC1-(4-hydroxyphenyl)-3-(4-nitrophenyl)urea
SMILESO=C(Nc1ccc(O)cc1)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H11N3O4/c17-12-7-3-10(4-8-12)15-13(18)14-9-1-5-11(6-2-9)16(19)20/h1-8,17H,(H2,14,15,18)
InChIKeyLRYCQZLEQDICCG-UHFFFAOYSA-N
MW273.25 g/mol
LogP2.94
Rot. Bonds3

About 1-(4-hydroxyphenyl)-3-(4-nitrophenyl)urea

1-(4-hydroxyphenyl)-3-(4-nitrophenyl)urea (PubChem CID 5324383) has the molecular formula C13H11N3O4 and a molecular weight of 273.25 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)-3-(4-nitrophenyl)urea.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)-3-(4-nitrophenyl)urea
PubChem CID5324383
Molecular FormulaC13H11N3O4
Molecular Weight273.25 g/mol
Exact Mass273.07
IUPAC Name1-(4-hydroxyphenyl)-3-(4-nitrophenyl)urea
SMILESO=C(Nc1ccc(O)cc1)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H11N3O4/c17-12-7-3-10(4-8-12)15-13(18)14-9-1-5-11(6-2-9)16(19)20/h1-8,17H,(H2,14,15,18)
InChIKeyLRYCQZLEQDICCG-UHFFFAOYSA-N
XLogP2.94
TPSA104.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', '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-(4-hydroxyphenyl)-3-(4-nitrophenyl)urea?
The IUPAC name of 1-(4-hydroxyphenyl)-3-(4-nitrophenyl)urea (CID 5324383) is 1-(4-hydroxyphenyl)-3-(4-nitrophenyl)urea.
What is the SMILES notation for 1-(4-hydroxyphenyl)-3-(4-nitrophenyl)urea?
The canonical SMILES for 1-(4-hydroxyphenyl)-3-(4-nitrophenyl)urea is O=C(Nc1ccc(O)cc1)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 1-(4-hydroxyphenyl)-3-(4-nitrophenyl)urea?
The InChIKey is LRYCQZLEQDICCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O4/c17-12-7-3-10(4-8-12)15-13(18)14-9-1-5-11(6-2-9)16(19)20/h1-8,17H,(H2,14,15,18).
What are the key properties of 1-(4-hydroxyphenyl)-3-(4-nitrophenyl)urea?
1-(4-hydroxyphenyl)-3-(4-nitrophenyl)urea has a molecular weight of 273.25 g/mol, XLogP of 2.94, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)-3-(4-nitrophenyl)urea is sourced from PubChem (CID 5324383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).