1-(3-hydroxy-3,4-dimethyl-6,6-diphenyldioxan-4-yl)ethanone

C20H22O4 — CID 14983159

IUPAC1-(3-hydroxy-3,4-dimethyl-6,6-diphenyldioxan-4-yl)ethanone
SMILESCC(=O)C1(C)CC(c2ccccc2)(c2ccccc2)OOC1(C)O
InChIInChI=1S/C20H22O4/c1-15(21)18(2)14-20(24-23-19(18,3)22,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,22H,14H2,1-3H3
InChIKeyKDSFVSBEONBGKR-UHFFFAOYSA-N
MW326.39 g/mol
LogP3.59
Rot. Bonds3

About 1-(3-hydroxy-3,4-dimethyl-6,6-diphenyldioxan-4-yl)ethanone

1-(3-hydroxy-3,4-dimethyl-6,6-diphenyldioxan-4-yl)ethanone (PubChem CID 14983159) has the molecular formula C20H22O4 and a molecular weight of 326.39 g/mol. Its IUPAC name is 1-(3-hydroxy-3,4-dimethyl-6,6-diphenyldioxan-4-yl)ethanone.

Molecular Properties

Compound Name1-(3-hydroxy-3,4-dimethyl-6,6-diphenyldioxan-4-yl)ethanone
PubChem CID14983159
Molecular FormulaC20H22O4
Molecular Weight326.39 g/mol
Exact Mass326.15
IUPAC Name1-(3-hydroxy-3,4-dimethyl-6,6-diphenyldioxan-4-yl)ethanone
SMILESCC(=O)C1(C)CC(c2ccccc2)(c2ccccc2)OOC1(C)O
InChIInChI=1S/C20H22O4/c1-15(21)18(2)14-20(24-23-19(18,3)22,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,22H,14H2,1-3H3
InChIKeyKDSFVSBEONBGKR-UHFFFAOYSA-N
XLogP3.59
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Mls002638215
CID 223673
4-Hydroxy-2,3,4-triphenyl-2-cyclopenten-1-one
CID 361630
3-[8-(2-Carboxyethyl)-9,10-dioxatricyclo[6.2.2.02,7]dodeca-2,4,6,11-tetraen-1-yl]propanoic acid
CID 114747
6-Hydroxy-1,6-diphenylheptan-4-one
CID 42613276
5-Hydroxy-1,5-diphenylhexan-3-one
CID 46888754
2,5-Diethyl-3,4-diphenyl-4-hydroxy-2-cyclopenten-1-one
CID 220292
Hydracrylic acid, 3-(4-biphenylyl)-3-(p-tolyl)-, (+-)-
CID 3054482
3-Hydroxy-2-methyl-3,3-diphenylpropanoic acid
CID 2750463
Methyl 3-hydroxy-3-methyl-6,6-diphenyldioxane-4-carboxylate
CID 21782621
Methyl 3-methoxy-3-methyl-6,6-diphenyldioxane-4-carboxylate
CID 155514376
Methyl 3-butyl-3-hydroxy-6,6-diphenyldioxane-4-carboxylate
CID 155548663
1,4-Etheno-2,3-benzodioxin-1,4-dipropanoic acid sodium salt
CID 6335809

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-3,4-dimethyl-6,6-diphenyldioxan-4-yl)ethanone?
The IUPAC name of 1-(3-hydroxy-3,4-dimethyl-6,6-diphenyldioxan-4-yl)ethanone (CID 14983159) is 1-(3-hydroxy-3,4-dimethyl-6,6-diphenyldioxan-4-yl)ethanone.
What is the SMILES notation for 1-(3-hydroxy-3,4-dimethyl-6,6-diphenyldioxan-4-yl)ethanone?
The canonical SMILES for 1-(3-hydroxy-3,4-dimethyl-6,6-diphenyldioxan-4-yl)ethanone is CC(=O)C1(C)CC(c2ccccc2)(c2ccccc2)OOC1(C)O.
What is the InChIKey of 1-(3-hydroxy-3,4-dimethyl-6,6-diphenyldioxan-4-yl)ethanone?
The InChIKey is KDSFVSBEONBGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O4/c1-15(21)18(2)14-20(24-23-19(18,3)22,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,22H,14H2,1-3H3.
What are the key properties of 1-(3-hydroxy-3,4-dimethyl-6,6-diphenyldioxan-4-yl)ethanone?
1-(3-hydroxy-3,4-dimethyl-6,6-diphenyldioxan-4-yl)ethanone has a molecular weight of 326.39 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-3,4-dimethyl-6,6-diphenyldioxan-4-yl)ethanone is sourced from PubChem (CID 14983159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).