4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenol

C22H18O — CID 52942315

IUPAC4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenol
SMILESOc1ccc(/C=C/c2ccc(/C=C/c3ccccc3)cc2)cc1
InChIInChI=1S/C22H18O/c23-22-16-14-21(15-17-22)13-12-20-10-8-19(9-11-20)7-6-18-4-2-1-3-5-18/h1-17,23H/b7-6+,13-12+
InChIKeyBDDHTYZSYBKJSA-GYIPPJPDSA-N
MW298.39 g/mol
LogP5.73
Rot. Bonds4

About 4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenol

4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenol (PubChem CID 52942315) has the molecular formula C22H18O and a molecular weight of 298.39 g/mol. Its IUPAC name is 4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenol.

Molecular Properties

Compound Name4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenol
PubChem CID52942315
Molecular FormulaC22H18O
Molecular Weight298.39 g/mol
Exact Mass298.14
IUPAC Name4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenol
SMILESOc1ccc(/C=C/c2ccc(/C=C/c3ccccc3)cc2)cc1
InChIInChI=1S/C22H18O/c23-22-16-14-21(15-17-22)13-12-20-10-8-19(9-11-20)7-6-18-4-2-1-3-5-18/h1-17,23H/b7-6+,13-12+
InChIKeyBDDHTYZSYBKJSA-GYIPPJPDSA-N
XLogP5.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.39
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(2-phenylethenyl)phenol
CID 157400568
4-[2-(4-phenylphenyl)ethenyl]phenol
CID 73178657
4-[(E)-2-(3-phenoxyphenyl)ethenyl]phenol
CID 11587340
4-[N-(4-hydroxyphenyl)-4-[(1E,3E)-4-phenylbuta-1,3-dienyl]anilino]phenol
CID 59460181
CID 70567885
CID 70567885
CID 70569152
CID 70569152
4-[(E)-2-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]ethenyl]phenol;triiodovanadium
CID 157160802
4-[(E)-2-(4-chlorophenyl)ethenyl]phenol
CID 5376643
4-[(Z)-2-(4-aminophenyl)ethenyl]phenol
CID 25021233
hydride;rubidium(1+);stilbene
CID 173437843
disodium;hydride;(E)-stilbene
CID 173089328
4-[2-(3-bromophenyl)ethenyl]phenol
CID 68626612

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenol?
The IUPAC name of 4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenol (CID 52942315) is 4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenol.
What is the SMILES notation for 4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenol?
The canonical SMILES for 4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenol is Oc1ccc(/C=C/c2ccc(/C=C/c3ccccc3)cc2)cc1.
What is the InChIKey of 4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenol?
The InChIKey is BDDHTYZSYBKJSA-GYIPPJPDSA-N. The full InChI is InChI=1S/C22H18O/c23-22-16-14-21(15-17-22)13-12-20-10-8-19(9-11-20)7-6-18-4-2-1-3-5-18/h1-17,23H/b7-6+,13-12+.
What are the key properties of 4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenol?
4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenol has a molecular weight of 298.39 g/mol, XLogP of 5.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenol is sourced from PubChem (CID 52942315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).