1-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]-3-phenylurea

C21H18N2O2 — CID 57339943

IUPAC1-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ccc(/C=C/c2ccc(O)cc2)cc1
InChIInChI=1S/C21H18N2O2/c24-20-14-10-17(11-15-20)7-6-16-8-12-19(13-9-16)23-21(25)22-18-4-2-1-3-5-18/h1-15,24H,(H2,22,23,25)/b7-6+
InChIKeyIKHQPOBRMVKAHK-VOTSOKGWSA-N
MW330.39 g/mol
LogP5.21
Rot. Bonds4

About 1-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]-3-phenylurea

1-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]-3-phenylurea (PubChem CID 57339943) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 1-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]-3-phenylurea.

Molecular Properties

Compound Name1-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]-3-phenylurea
PubChem CID57339943
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC Name1-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ccc(/C=C/c2ccc(O)cc2)cc1
InChIInChI=1S/C21H18N2O2/c24-20-14-10-17(11-15-20)7-6-16-8-12-19(13-9-16)23-21(25)22-18-4-2-1-3-5-18/h1-15,24H,(H2,22,23,25)/b7-6+
InChIKeyIKHQPOBRMVKAHK-VOTSOKGWSA-N
XLogP5.21
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.39
LogP ≤ 55.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]-3-phenylurea 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-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]-3-phenylurea?
The IUPAC name of 1-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]-3-phenylurea (CID 57339943) is 1-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]-3-phenylurea.
What is the SMILES notation for 1-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]-3-phenylurea?
The canonical SMILES for 1-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]-3-phenylurea is O=C(Nc1ccccc1)Nc1ccc(/C=C/c2ccc(O)cc2)cc1.
What is the InChIKey of 1-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]-3-phenylurea?
The InChIKey is IKHQPOBRMVKAHK-VOTSOKGWSA-N. The full InChI is InChI=1S/C21H18N2O2/c24-20-14-10-17(11-15-20)7-6-16-8-12-19(13-9-16)23-21(25)22-18-4-2-1-3-5-18/h1-15,24H,(H2,22,23,25)/b7-6+.
What are the key properties of 1-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]-3-phenylurea?
1-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]-3-phenylurea has a molecular weight of 330.39 g/mol, XLogP of 5.21, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]-3-phenylurea is sourced from PubChem (CID 57339943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).