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

C22H20N2O3 — CID 57339944

IUPAC1-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccc(/C=C/c3ccc(O)cc3)cc2)cc1
InChIInChI=1S/C22H20N2O3/c1-27-21-14-10-19(11-15-21)24-22(26)23-18-8-4-16(5-9-18)2-3-17-6-12-20(25)13-7-17/h2-15,25H,1H3,(H2,23,24,26)/b3-2+
InChIKeyYRPHGZFXBQOXPA-NSCUHMNNSA-N
MW360.41 g/mol
LogP5.22
Rot. Bonds5

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

1-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]-3-(4-methoxyphenyl)urea (PubChem CID 57339944) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is 1-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]-3-(4-methoxyphenyl)urea
PubChem CID57339944
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Name1-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccc(/C=C/c3ccc(O)cc3)cc2)cc1
InChIInChI=1S/C22H20N2O3/c1-27-21-14-10-19(11-15-21)24-22(26)23-18-8-4-16(5-9-18)2-3-17-6-12-20(25)13-7-17/h2-15,25H,1H3,(H2,23,24,26)/b3-2+
InChIKeyYRPHGZFXBQOXPA-NSCUHMNNSA-N
XLogP5.22
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.41
LogP ≤ 55.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]-3-(4-methoxyphenyl)urea?
The IUPAC name of 1-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]-3-(4-methoxyphenyl)urea (CID 57339944) is 1-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]-3-(4-methoxyphenyl)urea is COc1ccc(NC(=O)Nc2ccc(/C=C/c3ccc(O)cc3)cc2)cc1.
What is the InChIKey of 1-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]-3-(4-methoxyphenyl)urea?
The InChIKey is YRPHGZFXBQOXPA-NSCUHMNNSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-27-21-14-10-19(11-15-21)24-22(26)23-18-8-4-16(5-9-18)2-3-17-6-12-20(25)13-7-17/h2-15,25H,1H3,(H2,23,24,26)/b3-2+.
What are the key properties of 1-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]-3-(4-methoxyphenyl)urea?
1-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]-3-(4-methoxyphenyl)urea has a molecular weight of 360.41 g/mol, XLogP of 5.22, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]-3-(4-methoxyphenyl)urea is sourced from PubChem (CID 57339944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).