4-hydroxy-4-phenyl-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one

C16H20O4 — CID 14140280

IUPAC4-hydroxy-4-phenyl-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one
SMILESCC(C)OC1=C(OC(C)C)C(O)(c2ccccc2)C1=O
InChIInChI=1S/C16H20O4/c1-10(2)19-13-14(17)16(18,15(13)20-11(3)4)12-8-6-5-7-9-12/h5-11,18H,1-4H3
InChIKeyYUYAVMNYCMHVPI-UHFFFAOYSA-N
MW276.33 g/mol
LogP2.52
Rot. Bonds5

About 4-hydroxy-4-phenyl-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one

4-hydroxy-4-phenyl-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one (PubChem CID 14140280) has the molecular formula C16H20O4 and a molecular weight of 276.33 g/mol. Its IUPAC name is 4-hydroxy-4-phenyl-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one.

Molecular Properties

Compound Name4-hydroxy-4-phenyl-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one
PubChem CID14140280
Molecular FormulaC16H20O4
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC Name4-hydroxy-4-phenyl-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one
SMILESCC(C)OC1=C(OC(C)C)C(O)(c2ccccc2)C1=O
InChIInChI=1S/C16H20O4/c1-10(2)19-13-14(17)16(18,15(13)20-11(3)4)12-8-6-5-7-9-12/h5-11,18H,1-4H3
InChIKeyYUYAVMNYCMHVPI-UHFFFAOYSA-N
XLogP2.52
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-phenyl-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one?
The IUPAC name of 4-hydroxy-4-phenyl-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one (CID 14140280) is 4-hydroxy-4-phenyl-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one.
What is the SMILES notation for 4-hydroxy-4-phenyl-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one?
The canonical SMILES for 4-hydroxy-4-phenyl-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one is CC(C)OC1=C(OC(C)C)C(O)(c2ccccc2)C1=O.
What is the InChIKey of 4-hydroxy-4-phenyl-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one?
The InChIKey is YUYAVMNYCMHVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O4/c1-10(2)19-13-14(17)16(18,15(13)20-11(3)4)12-8-6-5-7-9-12/h5-11,18H,1-4H3.
What are the key properties of 4-hydroxy-4-phenyl-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one?
4-hydroxy-4-phenyl-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one has a molecular weight of 276.33 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-phenyl-2,3-di(propan-2-yloxy)cyclobut-2-en-1-one is sourced from PubChem (CID 14140280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).