6-(2-hydroxy-3-phenylmethoxypropyl)-2,2-dimethyl-1,3-dioxin-4-one

C16H20O5 — CID 15062403

IUPAC6-(2-hydroxy-3-phenylmethoxypropyl)-2,2-dimethyl-1,3-dioxin-4-one
SMILESCC1(C)OC(=O)C=C(CC(O)COCc2ccccc2)O1
InChIInChI=1S/C16H20O5/c1-16(2)20-14(9-15(18)21-16)8-13(17)11-19-10-12-6-4-3-5-7-12/h3-7,9,13,17H,8,10-11H2,1-2H3
InChIKeyHGWXIOIQMSBZOU-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.15
Rot. Bonds6

About 6-(2-hydroxy-3-phenylmethoxypropyl)-2,2-dimethyl-1,3-dioxin-4-one

6-(2-hydroxy-3-phenylmethoxypropyl)-2,2-dimethyl-1,3-dioxin-4-one (PubChem CID 15062403) has the molecular formula C16H20O5 and a molecular weight of 292.33 g/mol. Its IUPAC name is 6-(2-hydroxy-3-phenylmethoxypropyl)-2,2-dimethyl-1,3-dioxin-4-one.

Molecular Properties

Compound Name6-(2-hydroxy-3-phenylmethoxypropyl)-2,2-dimethyl-1,3-dioxin-4-one
PubChem CID15062403
Molecular FormulaC16H20O5
Molecular Weight292.33 g/mol
Exact Mass292.13
IUPAC Name6-(2-hydroxy-3-phenylmethoxypropyl)-2,2-dimethyl-1,3-dioxin-4-one
SMILESCC1(C)OC(=O)C=C(CC(O)COCc2ccccc2)O1
InChIInChI=1S/C16H20O5/c1-16(2)20-14(9-15(18)21-16)8-13(17)11-19-10-12-6-4-3-5-7-12/h3-7,9,13,17H,8,10-11H2,1-2H3
InChIKeyHGWXIOIQMSBZOU-UHFFFAOYSA-N
XLogP2.15
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(2-hydroxy-3-phenylmethoxypropyl)-2,2-dimethyl-1,3-dioxin-4-one with MolForge

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Related Compounds

6-[(2S,4S)-2-hydroxy-4-[(4-methoxyphenyl)methoxy]-6-phenylmethoxyhexyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 11655773
6-(2-ethenoxy-2-phenylethyl)-2,2-dimethyl-1,3-dioxin-4-one
CID 10978671
CID 172760983
CID 172760983
(2R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-phenylmethoxypropan-2-ol
CID 10869218
(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108
2-phenylmethoxyethane-1,1-diol
CID 59866645
(2S)-1,4-bis(phenylmethoxy)butan-2-ol
CID 14814227
2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxole
CID 141089313
(2R)-4,5,5-trifluoro-1-phenylmethoxypent-4-en-2-ol
CID 11207330
1-amino-3-phenylmethoxypropan-2-ol;oxalic acid
CID 46735900
6-[(2R,3S,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-3,5-dimethylhexyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 16750622
(2R)-4-methylsulfinyl-1-phenylmethoxybutan-2-ol
CID 14225951

Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxy-3-phenylmethoxypropyl)-2,2-dimethyl-1,3-dioxin-4-one?
The IUPAC name of 6-(2-hydroxy-3-phenylmethoxypropyl)-2,2-dimethyl-1,3-dioxin-4-one (CID 15062403) is 6-(2-hydroxy-3-phenylmethoxypropyl)-2,2-dimethyl-1,3-dioxin-4-one.
What is the SMILES notation for 6-(2-hydroxy-3-phenylmethoxypropyl)-2,2-dimethyl-1,3-dioxin-4-one?
The canonical SMILES for 6-(2-hydroxy-3-phenylmethoxypropyl)-2,2-dimethyl-1,3-dioxin-4-one is CC1(C)OC(=O)C=C(CC(O)COCc2ccccc2)O1.
What is the InChIKey of 6-(2-hydroxy-3-phenylmethoxypropyl)-2,2-dimethyl-1,3-dioxin-4-one?
The InChIKey is HGWXIOIQMSBZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O5/c1-16(2)20-14(9-15(18)21-16)8-13(17)11-19-10-12-6-4-3-5-7-12/h3-7,9,13,17H,8,10-11H2,1-2H3.
What are the key properties of 6-(2-hydroxy-3-phenylmethoxypropyl)-2,2-dimethyl-1,3-dioxin-4-one?
6-(2-hydroxy-3-phenylmethoxypropyl)-2,2-dimethyl-1,3-dioxin-4-one has a molecular weight of 292.33 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxy-3-phenylmethoxypropyl)-2,2-dimethyl-1,3-dioxin-4-one is sourced from PubChem (CID 15062403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).