3-hydroxy-4,4-dimethyl-2-(2,4,5-trimethylphenyl)cyclopent-2-en-1-one

C16H20O2 — CID 11746878

IUPAC3-hydroxy-4,4-dimethyl-2-(2,4,5-trimethylphenyl)cyclopent-2-en-1-one
SMILESCc1cc(C)c(C2=C(O)C(C)(C)CC2=O)cc1C
InChIInChI=1S/C16H20O2/c1-9-6-11(3)12(7-10(9)2)14-13(17)8-16(4,5)15(14)18/h6-7,18H,8H2,1-5H3
InChIKeyIGLXIEUOCUNPOD-UHFFFAOYSA-N
MW244.33 g/mol
LogP3.88
Rot. Bonds1

About 3-hydroxy-4,4-dimethyl-2-(2,4,5-trimethylphenyl)cyclopent-2-en-1-one

3-hydroxy-4,4-dimethyl-2-(2,4,5-trimethylphenyl)cyclopent-2-en-1-one (PubChem CID 11746878) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is 3-hydroxy-4,4-dimethyl-2-(2,4,5-trimethylphenyl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-hydroxy-4,4-dimethyl-2-(2,4,5-trimethylphenyl)cyclopent-2-en-1-one
PubChem CID11746878
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name3-hydroxy-4,4-dimethyl-2-(2,4,5-trimethylphenyl)cyclopent-2-en-1-one
SMILESCc1cc(C)c(C2=C(O)C(C)(C)CC2=O)cc1C
InChIInChI=1S/C16H20O2/c1-9-6-11(3)12(7-10(9)2)14-13(17)8-16(4,5)15(14)18/h6-7,18H,8H2,1-5H3
InChIKeyIGLXIEUOCUNPOD-UHFFFAOYSA-N
XLogP3.88
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4,4-dimethyl-2-(2,4,5-trimethylphenyl)cyclopent-2-en-1-one?
The IUPAC name of 3-hydroxy-4,4-dimethyl-2-(2,4,5-trimethylphenyl)cyclopent-2-en-1-one (CID 11746878) is 3-hydroxy-4,4-dimethyl-2-(2,4,5-trimethylphenyl)cyclopent-2-en-1-one.
What is the SMILES notation for 3-hydroxy-4,4-dimethyl-2-(2,4,5-trimethylphenyl)cyclopent-2-en-1-one?
The canonical SMILES for 3-hydroxy-4,4-dimethyl-2-(2,4,5-trimethylphenyl)cyclopent-2-en-1-one is Cc1cc(C)c(C2=C(O)C(C)(C)CC2=O)cc1C.
What is the InChIKey of 3-hydroxy-4,4-dimethyl-2-(2,4,5-trimethylphenyl)cyclopent-2-en-1-one?
The InChIKey is IGLXIEUOCUNPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O2/c1-9-6-11(3)12(7-10(9)2)14-13(17)8-16(4,5)15(14)18/h6-7,18H,8H2,1-5H3.
What are the key properties of 3-hydroxy-4,4-dimethyl-2-(2,4,5-trimethylphenyl)cyclopent-2-en-1-one?
3-hydroxy-4,4-dimethyl-2-(2,4,5-trimethylphenyl)cyclopent-2-en-1-one has a molecular weight of 244.33 g/mol, XLogP of 3.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4,4-dimethyl-2-(2,4,5-trimethylphenyl)cyclopent-2-en-1-one is sourced from PubChem (CID 11746878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).