3-[3-hydroxy-2-(1-phenylethenyl)phenyl]-2-(1-phenylethenyl)phenol

C28H22O2 — CID 68868044

IUPAC3-[3-hydroxy-2-(1-phenylethenyl)phenyl]-2-(1-phenylethenyl)phenol
SMILESC=C(c1ccccc1)c1c(O)cccc1-c1cccc(O)c1C(=C)c1ccccc1
InChIInChI=1S/C28H22O2/c1-19(21-11-5-3-6-12-21)27-23(15-9-17-25(27)29)24-16-10-18-26(30)28(24)20(2)22-13-7-4-8-14-22/h3-18,29-30H,1-2H2
InChIKeySJZBFUKYVKJAGL-UHFFFAOYSA-N
MW390.48 g/mol
LogP6.89
Rot. Bonds5

About 3-[3-hydroxy-2-(1-phenylethenyl)phenyl]-2-(1-phenylethenyl)phenol

3-[3-hydroxy-2-(1-phenylethenyl)phenyl]-2-(1-phenylethenyl)phenol (PubChem CID 68868044) has the molecular formula C28H22O2 and a molecular weight of 390.48 g/mol. Its IUPAC name is 3-[3-hydroxy-2-(1-phenylethenyl)phenyl]-2-(1-phenylethenyl)phenol.

Molecular Properties

Compound Name3-[3-hydroxy-2-(1-phenylethenyl)phenyl]-2-(1-phenylethenyl)phenol
PubChem CID68868044
Molecular FormulaC28H22O2
Molecular Weight390.48 g/mol
Exact Mass390.16
IUPAC Name3-[3-hydroxy-2-(1-phenylethenyl)phenyl]-2-(1-phenylethenyl)phenol
SMILESC=C(c1ccccc1)c1c(O)cccc1-c1cccc(O)c1C(=C)c1ccccc1
InChIInChI=1S/C28H22O2/c1-19(21-11-5-3-6-12-21)27-23(15-9-17-25(27)29)24-16-10-18-26(30)28(24)20(2)22-13-7-4-8-14-22/h3-18,29-30H,1-2H2
InChIKeySJZBFUKYVKJAGL-UHFFFAOYSA-N
XLogP6.89
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.48
LogP ≤ 56.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[3-hydroxy-2-(1-phenylethenyl)phenyl]-2-(1-phenylethenyl)phenol?
The IUPAC name of 3-[3-hydroxy-2-(1-phenylethenyl)phenyl]-2-(1-phenylethenyl)phenol (CID 68868044) is 3-[3-hydroxy-2-(1-phenylethenyl)phenyl]-2-(1-phenylethenyl)phenol.
What is the SMILES notation for 3-[3-hydroxy-2-(1-phenylethenyl)phenyl]-2-(1-phenylethenyl)phenol?
The canonical SMILES for 3-[3-hydroxy-2-(1-phenylethenyl)phenyl]-2-(1-phenylethenyl)phenol is C=C(c1ccccc1)c1c(O)cccc1-c1cccc(O)c1C(=C)c1ccccc1.
What is the InChIKey of 3-[3-hydroxy-2-(1-phenylethenyl)phenyl]-2-(1-phenylethenyl)phenol?
The InChIKey is SJZBFUKYVKJAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22O2/c1-19(21-11-5-3-6-12-21)27-23(15-9-17-25(27)29)24-16-10-18-26(30)28(24)20(2)22-13-7-4-8-14-22/h3-18,29-30H,1-2H2.
What are the key properties of 3-[3-hydroxy-2-(1-phenylethenyl)phenyl]-2-(1-phenylethenyl)phenol?
3-[3-hydroxy-2-(1-phenylethenyl)phenyl]-2-(1-phenylethenyl)phenol has a molecular weight of 390.48 g/mol, XLogP of 6.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-hydroxy-2-(1-phenylethenyl)phenyl]-2-(1-phenylethenyl)phenol is sourced from PubChem (CID 68868044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).