1-(3-hydroxy-6,6-diphenyl-3-propoxydioxan-4-yl)ethanone

C21H24O5 — CID 134928671

IUPAC1-(3-hydroxy-6,6-diphenyl-3-propoxydioxan-4-yl)ethanone
SMILESCCCOC1(O)OOC(c2ccccc2)(c2ccccc2)CC1C(C)=O
InChIInChI=1S/C21H24O5/c1-3-14-24-21(23)19(16(2)22)15-20(25-26-21,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,19,23H,3,14-15H2,1-2H3
InChIKeyOLVTZBFQWPPIOJ-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.56
Rot. Bonds6

About 1-(3-hydroxy-6,6-diphenyl-3-propoxydioxan-4-yl)ethanone

1-(3-hydroxy-6,6-diphenyl-3-propoxydioxan-4-yl)ethanone (PubChem CID 134928671) has the molecular formula C21H24O5 and a molecular weight of 356.42 g/mol. Its IUPAC name is 1-(3-hydroxy-6,6-diphenyl-3-propoxydioxan-4-yl)ethanone.

Molecular Properties

Compound Name1-(3-hydroxy-6,6-diphenyl-3-propoxydioxan-4-yl)ethanone
PubChem CID134928671
Molecular FormulaC21H24O5
Molecular Weight356.42 g/mol
Exact Mass356.16
IUPAC Name1-(3-hydroxy-6,6-diphenyl-3-propoxydioxan-4-yl)ethanone
SMILESCCCOC1(O)OOC(c2ccccc2)(c2ccccc2)CC1C(C)=O
InChIInChI=1S/C21H24O5/c1-3-14-24-21(23)19(16(2)22)15-20(25-26-21,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,19,23H,3,14-15H2,1-2H3
InChIKeyOLVTZBFQWPPIOJ-UHFFFAOYSA-N
XLogP3.56
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.56
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

Ethyl 3-hydroxy-3,3-diphenylpropanoate
CID 226208
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
Methyl 3-hydroxy-2-methyl-3,3-diphenylpropanoate
CID 570026
1-(3-Hydroxy-3,4-dimethyl-6,6-diphenyldioxan-4-yl)ethanone
CID 14983159
1-[3-Ethoxy-6,6-bis(4-fluorophenyl)-3-hydroxydioxan-4-yl]ethanone
CID 134929167
Ethyl 5-hydroxy-3-oxo-5,5-diphenylpentanoate
CID 255514
1-[3-Hydroxy-3-methyl-6,6-bis(4-methylphenyl)dioxan-4-yl]ethanone
CID 14872231
1-(3-Hydroxy-3-methyl-6-phenyldioxan-4-yl)ethanone
CID 14872233

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-6,6-diphenyl-3-propoxydioxan-4-yl)ethanone?
The IUPAC name of 1-(3-hydroxy-6,6-diphenyl-3-propoxydioxan-4-yl)ethanone (CID 134928671) is 1-(3-hydroxy-6,6-diphenyl-3-propoxydioxan-4-yl)ethanone.
What is the SMILES notation for 1-(3-hydroxy-6,6-diphenyl-3-propoxydioxan-4-yl)ethanone?
The canonical SMILES for 1-(3-hydroxy-6,6-diphenyl-3-propoxydioxan-4-yl)ethanone is CCCOC1(O)OOC(c2ccccc2)(c2ccccc2)CC1C(C)=O.
What is the InChIKey of 1-(3-hydroxy-6,6-diphenyl-3-propoxydioxan-4-yl)ethanone?
The InChIKey is OLVTZBFQWPPIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O5/c1-3-14-24-21(23)19(16(2)22)15-20(25-26-21,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,19,23H,3,14-15H2,1-2H3.
What are the key properties of 1-(3-hydroxy-6,6-diphenyl-3-propoxydioxan-4-yl)ethanone?
1-(3-hydroxy-6,6-diphenyl-3-propoxydioxan-4-yl)ethanone has a molecular weight of 356.42 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-6,6-diphenyl-3-propoxydioxan-4-yl)ethanone is sourced from PubChem (CID 134928671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).