4-[(E)-2-[3-bromo-4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]ethenyl]phenol

C22H17BrO2 — CID 44828481

IUPAC4-[(E)-2-[3-bromo-4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]ethenyl]phenol
SMILESOc1ccc(/C=C/c2ccc(/C=C/c3ccc(O)cc3)c(Br)c2)cc1
InChIInChI=1S/C22H17BrO2/c23-22-15-18(2-1-16-5-11-20(24)12-6-16)4-10-19(22)9-3-17-7-13-21(25)14-8-17/h1-15,24-25H/b2-1+,9-3+
InChIKeyOXPHQQMZTXMEGO-RJTULKDBSA-N
MW393.28 g/mol
LogP6.20
Rot. Bonds4

About 4-[(E)-2-[3-bromo-4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]ethenyl]phenol

4-[(E)-2-[3-bromo-4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]ethenyl]phenol (PubChem CID 44828481) has the molecular formula C22H17BrO2 and a molecular weight of 393.28 g/mol. Its IUPAC name is 4-[(E)-2-[3-bromo-4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]ethenyl]phenol.

Molecular Properties

Compound Name4-[(E)-2-[3-bromo-4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]ethenyl]phenol
PubChem CID44828481
Molecular FormulaC22H17BrO2
Molecular Weight393.28 g/mol
Exact Mass392.04
IUPAC Name4-[(E)-2-[3-bromo-4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]ethenyl]phenol
SMILESOc1ccc(/C=C/c2ccc(/C=C/c3ccc(O)cc3)c(Br)c2)cc1
InChIInChI=1S/C22H17BrO2/c23-22-15-18(2-1-16-5-11-20(24)12-6-16)4-10-19(22)9-3-17-7-13-21(25)14-8-17/h1-15,24-25H/b2-1+,9-3+
InChIKeyOXPHQQMZTXMEGO-RJTULKDBSA-N
XLogP6.20
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.28
LogP ≤ 56.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[3-bromo-4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]ethenyl]phenol?
The IUPAC name of 4-[(E)-2-[3-bromo-4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]ethenyl]phenol (CID 44828481) is 4-[(E)-2-[3-bromo-4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]ethenyl]phenol.
What is the SMILES notation for 4-[(E)-2-[3-bromo-4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]ethenyl]phenol?
The canonical SMILES for 4-[(E)-2-[3-bromo-4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]ethenyl]phenol is Oc1ccc(/C=C/c2ccc(/C=C/c3ccc(O)cc3)c(Br)c2)cc1.
What is the InChIKey of 4-[(E)-2-[3-bromo-4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]ethenyl]phenol?
The InChIKey is OXPHQQMZTXMEGO-RJTULKDBSA-N. The full InChI is InChI=1S/C22H17BrO2/c23-22-15-18(2-1-16-5-11-20(24)12-6-16)4-10-19(22)9-3-17-7-13-21(25)14-8-17/h1-15,24-25H/b2-1+,9-3+.
What are the key properties of 4-[(E)-2-[3-bromo-4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]ethenyl]phenol?
4-[(E)-2-[3-bromo-4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]ethenyl]phenol has a molecular weight of 393.28 g/mol, XLogP of 6.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[3-bromo-4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]ethenyl]phenol is sourced from PubChem (CID 44828481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).