1-hydroxy-3-(4-phenylmethoxyphenyl)urea

C14H14N2O3 — CID 11637459

IUPAC1-hydroxy-3-(4-phenylmethoxyphenyl)urea
SMILESO=C(NO)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C14H14N2O3/c17-14(16-18)15-12-6-8-13(9-7-12)19-10-11-4-2-1-3-5-11/h1-9,18H,10H2,(H2,15,16,17)
InChIKeyPQXBDBGXKAZUEX-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.78
Rot. Bonds4

About 1-hydroxy-3-(4-phenylmethoxyphenyl)urea

1-hydroxy-3-(4-phenylmethoxyphenyl)urea (PubChem CID 11637459) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 1-hydroxy-3-(4-phenylmethoxyphenyl)urea.

Molecular Properties

Compound Name1-hydroxy-3-(4-phenylmethoxyphenyl)urea
PubChem CID11637459
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name1-hydroxy-3-(4-phenylmethoxyphenyl)urea
SMILESO=C(NO)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C14H14N2O3/c17-14(16-18)15-12-6-8-13(9-7-12)19-10-11-4-2-1-3-5-11/h1-9,18H,10H2,(H2,15,16,17)
InChIKeyPQXBDBGXKAZUEX-UHFFFAOYSA-N
XLogP2.78
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.78
H-Bond Donors ≤ 53
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-3-(4-phenylmethoxyphenyl)urea?
The IUPAC name of 1-hydroxy-3-(4-phenylmethoxyphenyl)urea (CID 11637459) is 1-hydroxy-3-(4-phenylmethoxyphenyl)urea.
What is the SMILES notation for 1-hydroxy-3-(4-phenylmethoxyphenyl)urea?
The canonical SMILES for 1-hydroxy-3-(4-phenylmethoxyphenyl)urea is O=C(NO)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 1-hydroxy-3-(4-phenylmethoxyphenyl)urea?
The InChIKey is PQXBDBGXKAZUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c17-14(16-18)15-12-6-8-13(9-7-12)19-10-11-4-2-1-3-5-11/h1-9,18H,10H2,(H2,15,16,17).
What are the key properties of 1-hydroxy-3-(4-phenylmethoxyphenyl)urea?
1-hydroxy-3-(4-phenylmethoxyphenyl)urea has a molecular weight of 258.28 g/mol, XLogP of 2.78, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-(4-phenylmethoxyphenyl)urea is sourced from PubChem (CID 11637459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).