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

C20H22O5 — CID 134929054

IUPAC1-(3-ethoxy-3-hydroxy-6,6-diphenyldioxan-4-yl)ethanone
SMILESCCOC1(O)OOC(c2ccccc2)(c2ccccc2)CC1C(C)=O
InChIInChI=1S/C20H22O5/c1-3-23-20(22)18(15(2)21)14-19(24-25-20,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,18,22H,3,14H2,1-2H3
InChIKeyOOVRMEVDICYVCP-UHFFFAOYSA-N
MW342.39 g/mol
LogP3.17
Rot. Bonds5

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

1-(3-ethoxy-3-hydroxy-6,6-diphenyldioxan-4-yl)ethanone (PubChem CID 134929054) has the molecular formula C20H22O5 and a molecular weight of 342.39 g/mol. Its IUPAC name is 1-(3-ethoxy-3-hydroxy-6,6-diphenyldioxan-4-yl)ethanone.

Molecular Properties

Compound Name1-(3-ethoxy-3-hydroxy-6,6-diphenyldioxan-4-yl)ethanone
PubChem CID134929054
Molecular FormulaC20H22O5
Molecular Weight342.39 g/mol
Exact Mass342.15
IUPAC Name1-(3-ethoxy-3-hydroxy-6,6-diphenyldioxan-4-yl)ethanone
SMILESCCOC1(O)OOC(c2ccccc2)(c2ccccc2)CC1C(C)=O
InChIInChI=1S/C20H22O5/c1-3-23-20(22)18(15(2)21)14-19(24-25-20,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,18,22H,3,14H2,1-2H3
InChIKeyOOVRMEVDICYVCP-UHFFFAOYSA-N
XLogP3.17
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 53.17
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-ethoxy-3-hydroxy-6,6-diphenyldioxan-4-yl)ethanone?
The IUPAC name of 1-(3-ethoxy-3-hydroxy-6,6-diphenyldioxan-4-yl)ethanone (CID 134929054) is 1-(3-ethoxy-3-hydroxy-6,6-diphenyldioxan-4-yl)ethanone.
What is the SMILES notation for 1-(3-ethoxy-3-hydroxy-6,6-diphenyldioxan-4-yl)ethanone?
The canonical SMILES for 1-(3-ethoxy-3-hydroxy-6,6-diphenyldioxan-4-yl)ethanone is CCOC1(O)OOC(c2ccccc2)(c2ccccc2)CC1C(C)=O.
What is the InChIKey of 1-(3-ethoxy-3-hydroxy-6,6-diphenyldioxan-4-yl)ethanone?
The InChIKey is OOVRMEVDICYVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O5/c1-3-23-20(22)18(15(2)21)14-19(24-25-20,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,18,22H,3,14H2,1-2H3.
What are the key properties of 1-(3-ethoxy-3-hydroxy-6,6-diphenyldioxan-4-yl)ethanone?
1-(3-ethoxy-3-hydroxy-6,6-diphenyldioxan-4-yl)ethanone has a molecular weight of 342.39 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxy-3-hydroxy-6,6-diphenyldioxan-4-yl)ethanone is sourced from PubChem (CID 134929054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).