1-(4-ethylphenyl)-3-(4-hydroxy-2-oxochromen-3-yl)urea

C18H16N2O4 — CID 54688421

IUPAC1-(4-ethylphenyl)-3-(4-hydroxy-2-oxochromen-3-yl)urea
SMILESCCc1ccc(NC(=O)Nc2c(O)c3ccccc3oc2=O)cc1
InChIInChI=1S/C18H16N2O4/c1-2-11-7-9-12(10-8-11)19-18(23)20-15-16(21)13-5-3-4-6-14(13)24-17(15)22/h3-10,21H,2H2,1H3,(H2,19,20,23)
InChIKeyVHWKLUZYOPUDLQ-UHFFFAOYSA-N
MW324.34 g/mol
LogP3.70
Rot. Bonds3

About 1-(4-ethylphenyl)-3-(4-hydroxy-2-oxochromen-3-yl)urea

1-(4-ethylphenyl)-3-(4-hydroxy-2-oxochromen-3-yl)urea (PubChem CID 54688421) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-3-(4-hydroxy-2-oxochromen-3-yl)urea.

Molecular Properties

Compound Name1-(4-ethylphenyl)-3-(4-hydroxy-2-oxochromen-3-yl)urea
PubChem CID54688421
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name1-(4-ethylphenyl)-3-(4-hydroxy-2-oxochromen-3-yl)urea
SMILESCCc1ccc(NC(=O)Nc2c(O)c3ccccc3oc2=O)cc1
InChIInChI=1S/C18H16N2O4/c1-2-11-7-9-12(10-8-11)19-18(23)20-15-16(21)13-5-3-4-6-14(13)24-17(15)22/h3-10,21H,2H2,1H3,(H2,19,20,23)
InChIKeyVHWKLUZYOPUDLQ-UHFFFAOYSA-N
XLogP3.70
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze 1-(4-ethylphenyl)-3-(4-hydroxy-2-oxochromen-3-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-3-(4-hydroxy-2-oxochromen-3-yl)urea?
The IUPAC name of 1-(4-ethylphenyl)-3-(4-hydroxy-2-oxochromen-3-yl)urea (CID 54688421) is 1-(4-ethylphenyl)-3-(4-hydroxy-2-oxochromen-3-yl)urea.
What is the SMILES notation for 1-(4-ethylphenyl)-3-(4-hydroxy-2-oxochromen-3-yl)urea?
The canonical SMILES for 1-(4-ethylphenyl)-3-(4-hydroxy-2-oxochromen-3-yl)urea is CCc1ccc(NC(=O)Nc2c(O)c3ccccc3oc2=O)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-3-(4-hydroxy-2-oxochromen-3-yl)urea?
The InChIKey is VHWKLUZYOPUDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-2-11-7-9-12(10-8-11)19-18(23)20-15-16(21)13-5-3-4-6-14(13)24-17(15)22/h3-10,21H,2H2,1H3,(H2,19,20,23).
What are the key properties of 1-(4-ethylphenyl)-3-(4-hydroxy-2-oxochromen-3-yl)urea?
1-(4-ethylphenyl)-3-(4-hydroxy-2-oxochromen-3-yl)urea has a molecular weight of 324.34 g/mol, XLogP of 3.70, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-3-(4-hydroxy-2-oxochromen-3-yl)urea is sourced from PubChem (CID 54688421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).