3-(4-ethoxyphenoxy)-1-hydroxy-1-phenylurea

C15H16N2O4 — CID 88799213

IUPAC3-(4-ethoxyphenoxy)-1-hydroxy-1-phenylurea
SMILESCCOc1ccc(ONC(=O)N(O)c2ccccc2)cc1
InChIInChI=1S/C15H16N2O4/c1-2-20-13-8-10-14(11-9-13)21-16-15(18)17(19)12-6-4-3-5-7-12/h3-11,19H,2H2,1H3,(H,16,18)
InChIKeyJZCPEBGLRUCQSS-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.98
Rot. Bonds5

About 3-(4-ethoxyphenoxy)-1-hydroxy-1-phenylurea

3-(4-ethoxyphenoxy)-1-hydroxy-1-phenylurea (PubChem CID 88799213) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 3-(4-ethoxyphenoxy)-1-hydroxy-1-phenylurea.

Molecular Properties

Compound Name3-(4-ethoxyphenoxy)-1-hydroxy-1-phenylurea
PubChem CID88799213
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name3-(4-ethoxyphenoxy)-1-hydroxy-1-phenylurea
SMILESCCOc1ccc(ONC(=O)N(O)c2ccccc2)cc1
InChIInChI=1S/C15H16N2O4/c1-2-20-13-8-10-14(11-9-13)21-16-15(18)17(19)12-6-4-3-5-7-12/h3-11,19H,2H2,1H3,(H,16,18)
InChIKeyJZCPEBGLRUCQSS-UHFFFAOYSA-N
XLogP2.98
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

4-ethoxy-N-(4-ethoxyphenyl)-N-phenylaniline
CID 18996804
benzamide;1,4-diethoxybenzene
CID 162120306
4-ethoxy-N-ethyl-N-phenylbenzamide
CID 721190
(4-ethoxyphenyl)-[4-[4-(N-[4-(N-(4-methylphenyl)anilino)phenyl]anilino)phenoxy]phenyl]methanone
CID 71233054
2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide
CID 798122
(4-ethoxyphenyl)-[4-[4-(N-[4-(N-(4-methylphenyl)anilino)phenyl]anilino)phenoxy]phenyl]methanone;phosphane
CID 159786480
3-(4-ethoxy-N-methylanilino)-3-oxopropanoic acid
CID 115163301
N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-2-(N-methylanilino)acetamide
CID 171978970
2-chloroacetic acid;ethoxybenzene
CID 174963019
2-(N-acetyl-4-ethoxyanilino)-N-methyl-N-phenylacetamide
CID 113173931
3-(3,5-dichlorophenoxy)-1-methyl-1-phenylurea
CID 14459171
methyl 2-(4-ethoxy-N-methylanilino)acetate
CID 115232761

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenoxy)-1-hydroxy-1-phenylurea?
The IUPAC name of 3-(4-ethoxyphenoxy)-1-hydroxy-1-phenylurea (CID 88799213) is 3-(4-ethoxyphenoxy)-1-hydroxy-1-phenylurea.
What is the SMILES notation for 3-(4-ethoxyphenoxy)-1-hydroxy-1-phenylurea?
The canonical SMILES for 3-(4-ethoxyphenoxy)-1-hydroxy-1-phenylurea is CCOc1ccc(ONC(=O)N(O)c2ccccc2)cc1.
What is the InChIKey of 3-(4-ethoxyphenoxy)-1-hydroxy-1-phenylurea?
The InChIKey is JZCPEBGLRUCQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-2-20-13-8-10-14(11-9-13)21-16-15(18)17(19)12-6-4-3-5-7-12/h3-11,19H,2H2,1H3,(H,16,18).
What are the key properties of 3-(4-ethoxyphenoxy)-1-hydroxy-1-phenylurea?
3-(4-ethoxyphenoxy)-1-hydroxy-1-phenylurea has a molecular weight of 288.30 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenoxy)-1-hydroxy-1-phenylurea is sourced from PubChem (CID 88799213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).