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

C19H20O5 — CID 134928670

IUPAC1-(3-hydroxy-3-methoxy-6,6-diphenyldioxan-4-yl)ethanone
SMILESCOC1(O)OOC(c2ccccc2)(c2ccccc2)CC1C(C)=O
InChIInChI=1S/C19H20O5/c1-14(20)17-13-18(15-9-5-3-6-10-15,16-11-7-4-8-12-16)23-24-19(17,21)22-2/h3-12,17,21H,13H2,1-2H3
InChIKeyULXZVHZBVPRWPQ-UHFFFAOYSA-N
MW328.36 g/mol
LogP2.78
Rot. Bonds4

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

1-(3-hydroxy-3-methoxy-6,6-diphenyldioxan-4-yl)ethanone (PubChem CID 134928670) has the molecular formula C19H20O5 and a molecular weight of 328.36 g/mol. Its IUPAC name is 1-(3-hydroxy-3-methoxy-6,6-diphenyldioxan-4-yl)ethanone.

Molecular Properties

Compound Name1-(3-hydroxy-3-methoxy-6,6-diphenyldioxan-4-yl)ethanone
PubChem CID134928670
Molecular FormulaC19H20O5
Molecular Weight328.36 g/mol
Exact Mass328.13
IUPAC Name1-(3-hydroxy-3-methoxy-6,6-diphenyldioxan-4-yl)ethanone
SMILESCOC1(O)OOC(c2ccccc2)(c2ccccc2)CC1C(C)=O
InChIInChI=1S/C19H20O5/c1-14(20)17-13-18(15-9-5-3-6-10-15,16-11-7-4-8-12-16)23-24-19(17,21)22-2/h3-12,17,21H,13H2,1-2H3
InChIKeyULXZVHZBVPRWPQ-UHFFFAOYSA-N
XLogP2.78
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

Mls002638215
CID 223673
Ethyl 3-hydroxy-3,3-diphenylpropanoate
CID 226208
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
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
(3-Methoxy-3-methyl-6,6-diphenyldioxan-4-yl)methanol
CID 155559648
1-[6,6-Bis(4-fluorophenyl)-3-hydroxy-3-methyldioxan-4-yl]ethanone
CID 14872232

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-3-methoxy-6,6-diphenyldioxan-4-yl)ethanone?
The IUPAC name of 1-(3-hydroxy-3-methoxy-6,6-diphenyldioxan-4-yl)ethanone (CID 134928670) is 1-(3-hydroxy-3-methoxy-6,6-diphenyldioxan-4-yl)ethanone.
What is the SMILES notation for 1-(3-hydroxy-3-methoxy-6,6-diphenyldioxan-4-yl)ethanone?
The canonical SMILES for 1-(3-hydroxy-3-methoxy-6,6-diphenyldioxan-4-yl)ethanone is COC1(O)OOC(c2ccccc2)(c2ccccc2)CC1C(C)=O.
What is the InChIKey of 1-(3-hydroxy-3-methoxy-6,6-diphenyldioxan-4-yl)ethanone?
The InChIKey is ULXZVHZBVPRWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O5/c1-14(20)17-13-18(15-9-5-3-6-10-15,16-11-7-4-8-12-16)23-24-19(17,21)22-2/h3-12,17,21H,13H2,1-2H3.
What are the key properties of 1-(3-hydroxy-3-methoxy-6,6-diphenyldioxan-4-yl)ethanone?
1-(3-hydroxy-3-methoxy-6,6-diphenyldioxan-4-yl)ethanone has a molecular weight of 328.36 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-3-methoxy-6,6-diphenyldioxan-4-yl)ethanone is sourced from PubChem (CID 134928670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).