1-hydroxy-1-[1-(3-phenoxyphenyl)ethyl]urea

C15H16N2O3 — CID 10802123

IUPAC1-hydroxy-1-[1-(3-phenoxyphenyl)ethyl]urea
SMILESCC(c1cccc(Oc2ccccc2)c1)N(O)C(N)=O
InChIInChI=1S/C15H16N2O3/c1-11(17(19)15(16)18)12-6-5-9-14(10-12)20-13-7-3-2-4-8-13/h2-11,19H,1H3,(H2,16,18)
InChIKeyKCVRPQFSQBKQLL-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.31
Rot. Bonds4

About 1-hydroxy-1-[1-(3-phenoxyphenyl)ethyl]urea

1-hydroxy-1-[1-(3-phenoxyphenyl)ethyl]urea (PubChem CID 10802123) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 1-hydroxy-1-[1-(3-phenoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-hydroxy-1-[1-(3-phenoxyphenyl)ethyl]urea
PubChem CID10802123
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name1-hydroxy-1-[1-(3-phenoxyphenyl)ethyl]urea
SMILESCC(c1cccc(Oc2ccccc2)c1)N(O)C(N)=O
InChIInChI=1S/C15H16N2O3/c1-11(17(19)15(16)18)12-6-5-9-14(10-12)20-13-7-3-2-4-8-13/h2-11,19H,1H3,(H2,16,18)
InChIKeyKCVRPQFSQBKQLL-UHFFFAOYSA-N
XLogP3.31
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', '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-hydroxy-1-[1-(3-phenoxyphenyl)ethyl]urea?
The IUPAC name of 1-hydroxy-1-[1-(3-phenoxyphenyl)ethyl]urea (CID 10802123) is 1-hydroxy-1-[1-(3-phenoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-hydroxy-1-[1-(3-phenoxyphenyl)ethyl]urea?
The canonical SMILES for 1-hydroxy-1-[1-(3-phenoxyphenyl)ethyl]urea is CC(c1cccc(Oc2ccccc2)c1)N(O)C(N)=O.
What is the InChIKey of 1-hydroxy-1-[1-(3-phenoxyphenyl)ethyl]urea?
The InChIKey is KCVRPQFSQBKQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-11(17(19)15(16)18)12-6-5-9-14(10-12)20-13-7-3-2-4-8-13/h2-11,19H,1H3,(H2,16,18).
What are the key properties of 1-hydroxy-1-[1-(3-phenoxyphenyl)ethyl]urea?
1-hydroxy-1-[1-(3-phenoxyphenyl)ethyl]urea has a molecular weight of 272.30 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-[1-(3-phenoxyphenyl)ethyl]urea is sourced from PubChem (CID 10802123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).