2-(2-hydroxyphenyl)-2,6-dimethyl-5,6-dihydrocyclopenta[d][1,3]dioxol-4-one

C14H14O4 — CID 58178405

IUPAC2-(2-hydroxyphenyl)-2,6-dimethyl-5,6-dihydrocyclopenta[d][1,3]dioxol-4-one
SMILESCC1CC(=O)C2=C1OC(C)(c1ccccc1O)O2
InChIInChI=1S/C14H14O4/c1-8-7-11(16)13-12(8)17-14(2,18-13)9-5-3-4-6-10(9)15/h3-6,8,15H,7H2,1-2H3
InChIKeyQQWSKDREVMOSRK-UHFFFAOYSA-N
MW246.26 g/mol
LogP2.43
Rot. Bonds1

About 2-(2-hydroxyphenyl)-2,6-dimethyl-5,6-dihydrocyclopenta[d][1,3]dioxol-4-one

2-(2-hydroxyphenyl)-2,6-dimethyl-5,6-dihydrocyclopenta[d][1,3]dioxol-4-one (PubChem CID 58178405) has the molecular formula C14H14O4 and a molecular weight of 246.26 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)-2,6-dimethyl-5,6-dihydrocyclopenta[d][1,3]dioxol-4-one.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)-2,6-dimethyl-5,6-dihydrocyclopenta[d][1,3]dioxol-4-one
PubChem CID58178405
Molecular FormulaC14H14O4
Molecular Weight246.26 g/mol
Exact Mass246.09
IUPAC Name2-(2-hydroxyphenyl)-2,6-dimethyl-5,6-dihydrocyclopenta[d][1,3]dioxol-4-one
SMILESCC1CC(=O)C2=C1OC(C)(c1ccccc1O)O2
InChIInChI=1S/C14H14O4/c1-8-7-11(16)13-12(8)17-14(2,18-13)9-5-3-4-6-10(9)15/h3-6,8,15H,7H2,1-2H3
InChIKeyQQWSKDREVMOSRK-UHFFFAOYSA-N
XLogP2.43
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-hydroxyphenyl)-2,6-dimethyl-5,6-dihydrocyclopenta[d][1,3]dioxol-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)-2,6-dimethyl-5,6-dihydrocyclopenta[d][1,3]dioxol-4-one?
The IUPAC name of 2-(2-hydroxyphenyl)-2,6-dimethyl-5,6-dihydrocyclopenta[d][1,3]dioxol-4-one (CID 58178405) is 2-(2-hydroxyphenyl)-2,6-dimethyl-5,6-dihydrocyclopenta[d][1,3]dioxol-4-one.
What is the SMILES notation for 2-(2-hydroxyphenyl)-2,6-dimethyl-5,6-dihydrocyclopenta[d][1,3]dioxol-4-one?
The canonical SMILES for 2-(2-hydroxyphenyl)-2,6-dimethyl-5,6-dihydrocyclopenta[d][1,3]dioxol-4-one is CC1CC(=O)C2=C1OC(C)(c1ccccc1O)O2.
What is the InChIKey of 2-(2-hydroxyphenyl)-2,6-dimethyl-5,6-dihydrocyclopenta[d][1,3]dioxol-4-one?
The InChIKey is QQWSKDREVMOSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4/c1-8-7-11(16)13-12(8)17-14(2,18-13)9-5-3-4-6-10(9)15/h3-6,8,15H,7H2,1-2H3.
What are the key properties of 2-(2-hydroxyphenyl)-2,6-dimethyl-5,6-dihydrocyclopenta[d][1,3]dioxol-4-one?
2-(2-hydroxyphenyl)-2,6-dimethyl-5,6-dihydrocyclopenta[d][1,3]dioxol-4-one has a molecular weight of 246.26 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)-2,6-dimethyl-5,6-dihydrocyclopenta[d][1,3]dioxol-4-one is sourced from PubChem (CID 58178405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).