1-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-phenylurea

C15H15N3O4 — CID 4658465

IUPAC1-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-phenylurea
SMILESO=C(NCC(O)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1
InChIInChI=1S/C15H15N3O4/c19-14(11-6-8-13(9-7-11)18(21)22)10-16-15(20)17-12-4-2-1-3-5-12/h1-9,14,19H,10H2,(H2,16,17,20)
InChIKeyHUIPNFJWRBQICC-UHFFFAOYSA-N
MW301.30 g/mol
LogP2.45
Rot. Bonds5

About 1-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-phenylurea

1-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-phenylurea (PubChem CID 4658465) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is 1-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-phenylurea.

Molecular Properties

Compound Name1-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-phenylurea
PubChem CID4658465
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC Name1-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-phenylurea
SMILESO=C(NCC(O)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1
InChIInChI=1S/C15H15N3O4/c19-14(11-6-8-13(9-7-11)18(21)22)10-16-15(20)17-12-4-2-1-3-5-12/h1-9,14,19H,10H2,(H2,16,17,20)
InChIKeyHUIPNFJWRBQICC-UHFFFAOYSA-N
XLogP2.45
TPSA104.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-phenylurea?
The IUPAC name of 1-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-phenylurea (CID 4658465) is 1-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-phenylurea.
What is the SMILES notation for 1-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-phenylurea?
The canonical SMILES for 1-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-phenylurea is O=C(NCC(O)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1.
What is the InChIKey of 1-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-phenylurea?
The InChIKey is HUIPNFJWRBQICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4/c19-14(11-6-8-13(9-7-11)18(21)22)10-16-15(20)17-12-4-2-1-3-5-12/h1-9,14,19H,10H2,(H2,16,17,20).
What are the key properties of 1-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-phenylurea?
1-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-phenylurea has a molecular weight of 301.30 g/mol, XLogP of 2.45, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-phenylurea is sourced from PubChem (CID 4658465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).