3-hydroxy-4-(2-phenylethenyl)cyclobut-3-ene-1,2-dione

C12H8O3 — CID 91203784

IUPAC3-hydroxy-4-(2-phenylethenyl)cyclobut-3-ene-1,2-dione
SMILESO=c1c(O)c(C=Cc2ccccc2)c1=O
InChIInChI=1S/C12H8O3/c13-10-9(11(14)12(10)15)7-6-8-4-2-1-3-5-8/h1-7,13H
InChIKeyOWNXMHZIQXUNME-UHFFFAOYSA-N
MW200.19 g/mol
LogP1.16
Rot. Bonds2

About 3-hydroxy-4-(2-phenylethenyl)cyclobut-3-ene-1,2-dione

3-hydroxy-4-(2-phenylethenyl)cyclobut-3-ene-1,2-dione (PubChem CID 91203784) has the molecular formula C12H8O3 and a molecular weight of 200.19 g/mol. Its IUPAC name is 3-hydroxy-4-(2-phenylethenyl)cyclobut-3-ene-1,2-dione.

Molecular Properties

Compound Name3-hydroxy-4-(2-phenylethenyl)cyclobut-3-ene-1,2-dione
PubChem CID91203784
Molecular FormulaC12H8O3
Molecular Weight200.19 g/mol
Exact Mass200.05
IUPAC Name3-hydroxy-4-(2-phenylethenyl)cyclobut-3-ene-1,2-dione
SMILESO=c1c(O)c(C=Cc2ccccc2)c1=O
InChIInChI=1S/C12H8O3/c13-10-9(11(14)12(10)15)7-6-8-4-2-1-3-5-8/h1-7,13H
InChIKeyOWNXMHZIQXUNME-UHFFFAOYSA-N
XLogP1.16
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-4-[(1E,3E)-4-phenylbuta-1,3-dienyl]cyclobut-3-ene-1,2-dione
CID 11218392
stilbene;sulfuric acid
CID 67612140
6-hydroxy-5-(2-phenylethenyl)-1H-pyrimidine-2,4-dione
CID 123415480
CID 70567885
CID 70567885
CID 70569152
CID 70569152
acetic acid;stilbene
CID 172803728
4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenol
CID 52942315
4-(2-phenylethenyl)phenol
CID 157400568
4-methyl-2-(2-phenylethenyl)benzene-1,3-diol
CID 135318520
6-methyl-2,3-bis(2-phenylethenyl)phenol
CID 54059537
hydride;rubidium(1+);stilbene
CID 173437843
disodium;hydride;(E)-stilbene
CID 173089328

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-(2-phenylethenyl)cyclobut-3-ene-1,2-dione?
The IUPAC name of 3-hydroxy-4-(2-phenylethenyl)cyclobut-3-ene-1,2-dione (CID 91203784) is 3-hydroxy-4-(2-phenylethenyl)cyclobut-3-ene-1,2-dione.
What is the SMILES notation for 3-hydroxy-4-(2-phenylethenyl)cyclobut-3-ene-1,2-dione?
The canonical SMILES for 3-hydroxy-4-(2-phenylethenyl)cyclobut-3-ene-1,2-dione is O=c1c(O)c(C=Cc2ccccc2)c1=O.
What is the InChIKey of 3-hydroxy-4-(2-phenylethenyl)cyclobut-3-ene-1,2-dione?
The InChIKey is OWNXMHZIQXUNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O3/c13-10-9(11(14)12(10)15)7-6-8-4-2-1-3-5-8/h1-7,13H.
What are the key properties of 3-hydroxy-4-(2-phenylethenyl)cyclobut-3-ene-1,2-dione?
3-hydroxy-4-(2-phenylethenyl)cyclobut-3-ene-1,2-dione has a molecular weight of 200.19 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-(2-phenylethenyl)cyclobut-3-ene-1,2-dione is sourced from PubChem (CID 91203784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).