8a-hydroxy-3,3-diphenyl-4a,6,7,8-tetrahydro-4H-benzo[c][1,2]dioxin-5-one

C20H20O4 — CID 14983160

IUPAC8a-hydroxy-3,3-diphenyl-4a,6,7,8-tetrahydro-4H-benzo[c][1,2]dioxin-5-one
SMILESO=C1CCCC2(O)OOC(c3ccccc3)(c3ccccc3)CC12
InChIInChI=1S/C20H20O4/c21-18-12-7-13-20(22)17(18)14-19(23-24-20,15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-11,17,22H,7,12-14H2
InChIKeyUSMGKAWSBPOWTL-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.34
Rot. Bonds2

About 8a-hydroxy-3,3-diphenyl-4a,6,7,8-tetrahydro-4H-benzo[c][1,2]dioxin-5-one

8a-hydroxy-3,3-diphenyl-4a,6,7,8-tetrahydro-4H-benzo[c][1,2]dioxin-5-one (PubChem CID 14983160) has the molecular formula C20H20O4 and a molecular weight of 324.38 g/mol. Its IUPAC name is 8a-hydroxy-3,3-diphenyl-4a,6,7,8-tetrahydro-4H-benzo[c][1,2]dioxin-5-one.

Molecular Properties

Compound Name8a-hydroxy-3,3-diphenyl-4a,6,7,8-tetrahydro-4H-benzo[c][1,2]dioxin-5-one
PubChem CID14983160
Molecular FormulaC20H20O4
Molecular Weight324.38 g/mol
Exact Mass324.14
IUPAC Name8a-hydroxy-3,3-diphenyl-4a,6,7,8-tetrahydro-4H-benzo[c][1,2]dioxin-5-one
SMILESO=C1CCCC2(O)OOC(c3ccccc3)(c3ccccc3)CC12
InChIInChI=1S/C20H20O4/c21-18-12-7-13-20(22)17(18)14-19(23-24-20,15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-11,17,22H,7,12-14H2
InChIKeyUSMGKAWSBPOWTL-UHFFFAOYSA-N
XLogP3.34
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8a-hydroxy-3,3-diphenyl-4a,6,7,8-tetrahydro-4H-benzo[c][1,2]dioxin-5-one with MolForge

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Related Compounds

3-[8-(2-Carboxyethyl)-9,10-dioxatricyclo[6.2.2.02,7]dodeca-2,4,6,11-tetraen-1-yl]propanoic acid
CID 114747
Methyl 3-hydroxy-3-methyl-6,6-diphenyldioxane-4-carboxylate
CID 21782621
Methyl 3-butyl-3-hydroxy-6,6-diphenyldioxane-4-carboxylate
CID 155548663
1-[6,6-Bis(4-fluorophenyl)-3-hydroxy-3-methyldioxan-4-yl]ethanone
CID 14872232
1-(3-Hydroxy-3,4-dimethyl-6,6-diphenyldioxan-4-yl)ethanone
CID 14983159
1-[3-Hydroxy-3-methyl-6,6-bis(4-methylphenyl)dioxan-4-yl]ethanone
CID 14872231
(3R,4aR,8aS)-8a-hydroxy-4a-methyl-3-phenyl-4,6,7,8-tetrahydro-3H-benzo[c][1,2]dioxin-5-one
CID 13757554
3-[Hydroxy(diphenyl)methyl]cyclohexan-1-one
CID 13869840
4-Acetyl-3-methyl-6,6-diphenyl-1,2-dioxan-3-ol
CID 14872228
8a-Hydroxy-4a-methyl-3,3-diphenyl-4,6,7,8-tetrahydrobenzo[c][1,2]dioxin-5-one
CID 14983155
7a-hydroxy-4a-methyl-3,3-diphenyl-6,7-dihydro-4H-cyclopenta[c][1,2]dioxin-5-one
CID 14983156
3,3-Bis(4-chlorophenyl)-8a-hydroxy-4a-methyl-4,6,7,8-tetrahydrobenzo[c][1,2]dioxin-5-one
CID 14983161

Frequently Asked Questions

What is the IUPAC name of 8a-hydroxy-3,3-diphenyl-4a,6,7,8-tetrahydro-4H-benzo[c][1,2]dioxin-5-one?
The IUPAC name of 8a-hydroxy-3,3-diphenyl-4a,6,7,8-tetrahydro-4H-benzo[c][1,2]dioxin-5-one (CID 14983160) is 8a-hydroxy-3,3-diphenyl-4a,6,7,8-tetrahydro-4H-benzo[c][1,2]dioxin-5-one.
What is the SMILES notation for 8a-hydroxy-3,3-diphenyl-4a,6,7,8-tetrahydro-4H-benzo[c][1,2]dioxin-5-one?
The canonical SMILES for 8a-hydroxy-3,3-diphenyl-4a,6,7,8-tetrahydro-4H-benzo[c][1,2]dioxin-5-one is O=C1CCCC2(O)OOC(c3ccccc3)(c3ccccc3)CC12.
What is the InChIKey of 8a-hydroxy-3,3-diphenyl-4a,6,7,8-tetrahydro-4H-benzo[c][1,2]dioxin-5-one?
The InChIKey is USMGKAWSBPOWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O4/c21-18-12-7-13-20(22)17(18)14-19(23-24-20,15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-11,17,22H,7,12-14H2.
What are the key properties of 8a-hydroxy-3,3-diphenyl-4a,6,7,8-tetrahydro-4H-benzo[c][1,2]dioxin-5-one?
8a-hydroxy-3,3-diphenyl-4a,6,7,8-tetrahydro-4H-benzo[c][1,2]dioxin-5-one has a molecular weight of 324.38 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-hydroxy-3,3-diphenyl-4a,6,7,8-tetrahydro-4H-benzo[c][1,2]dioxin-5-one is sourced from PubChem (CID 14983160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).