ethane;1-[5-hydroxy-6-(hydroxymethyl)-2-phenyl-1,3-dioxan-4-yl]ethane-1,2-diol

C15H24O6 — CID 91482861

IUPACethane;1-[5-hydroxy-6-(hydroxymethyl)-2-phenyl-1,3-dioxan-4-yl]ethane-1,2-diol
SMILESCC.OCC(O)C1OC(c2ccccc2)OC(CO)C1O
InChIInChI=1S/C13H18O6.C2H6/c14-6-9(16)12-11(17)10(7-15)18-13(19-12)8-4-2-1-3-5-8;1-2/h1-5,9-17H,6-7H2;1-2H3
InChIKeyRWEZHIAIWFBCMS-UHFFFAOYSA-N
MW300.35 g/mol
LogP0.20
Rot. Bonds4

About ethane;1-[5-hydroxy-6-(hydroxymethyl)-2-phenyl-1,3-dioxan-4-yl]ethane-1,2-diol

ethane;1-[5-hydroxy-6-(hydroxymethyl)-2-phenyl-1,3-dioxan-4-yl]ethane-1,2-diol (PubChem CID 91482861) has the molecular formula C15H24O6 and a molecular weight of 300.35 g/mol. Its IUPAC name is ethane;1-[5-hydroxy-6-(hydroxymethyl)-2-phenyl-1,3-dioxan-4-yl]ethane-1,2-diol.

Molecular Properties

Compound Nameethane;1-[5-hydroxy-6-(hydroxymethyl)-2-phenyl-1,3-dioxan-4-yl]ethane-1,2-diol
PubChem CID91482861
Molecular FormulaC15H24O6
Molecular Weight300.35 g/mol
Exact Mass300.16
IUPAC Nameethane;1-[5-hydroxy-6-(hydroxymethyl)-2-phenyl-1,3-dioxan-4-yl]ethane-1,2-diol
SMILESCC.OCC(O)C1OC(c2ccccc2)OC(CO)C1O
InChIInChI=1S/C13H18O6.C2H6/c14-6-9(16)12-11(17)10(7-15)18-13(19-12)8-4-2-1-3-5-8;1-2/h1-5,9-17H,6-7H2;1-2H3
InChIKeyRWEZHIAIWFBCMS-UHFFFAOYSA-N
XLogP0.20
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 50.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,6-diphenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl)ethane-1,2-diol;2,6-diphenyl-4-(2-phenyl-1,3-dioxolan-4-yl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine;ethane;1-[5-hydroxy-6-(hydroxymethyl)-2-phenyl-1,3-dioxan-4-yl]ethane-1,2-diol;1-(5-hydroxy-2-phenyl-1,3-dioxan-4-yl)propane-1,2,3-triol
CID 160567238
(1R)-1-[(4R,5R,6S)-2-(3,4-dimethoxyphenyl)-5-hydroxy-6-(hydroxymethyl)-1,3-dioxan-4-yl]ethane-1,2-diol
CID 70019594
(1R)-1-[(4R,5R,6S)-2-(3-bromo-4-ethylphenyl)-5-hydroxy-6-(hydroxymethyl)-1,3-dioxan-4-yl]ethane-1,2-diol
CID 174448548
[(4S,5S)-5-(hydroxymethyl)-2-phenyl-1,3-dioxolan-4-yl]methanol
CID 719727
(1R)-1-[(2S,4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]ethane-1,2-diol
CID 11075553
[(2R,4R,5R)-5-[(2S,4R,5S)-5-(hydroxymethyl)-2-phenyl-1,3-dioxolan-4-yl]-2-phenyl-1,3-dioxolan-4-yl]methanol
CID 34174718
[(4S,5R,6R)-5-hydroxy-6-[(1R)-1-hydroxy-2-(4-methylphenyl)sulfonyloxyethyl]-2-phenyl-1,3-dioxan-4-yl]methyl 4-methylbenzenesulfonate
CID 134882619
ethane;[5-(2-methylphenyl)-2-phenyl-1,3-dioxolan-4-yl]methanol
CID 144861754
[(2S,4S,5S)-5-(2-methylphenyl)-2-phenyl-1,3-dioxolan-4-yl]methanol
CID 141385272
(3S,6S)-2-(hydroxymethyl)-6-phenyloxane-3,4,5-triol
CID 134968723
[(2R,4R,5S,6R)-6-[bis(ethylsulfanyl)methyl]-5-methoxy-2-phenyl-1,3-dioxan-4-yl]methanol
CID 44588353
(2R,3R)-2-(hydroxymethyl)-5-methyl-4-phenyloxolan-3-ol
CID 70795418

Frequently Asked Questions

What is the IUPAC name of ethane;1-[5-hydroxy-6-(hydroxymethyl)-2-phenyl-1,3-dioxan-4-yl]ethane-1,2-diol?
The IUPAC name of ethane;1-[5-hydroxy-6-(hydroxymethyl)-2-phenyl-1,3-dioxan-4-yl]ethane-1,2-diol (CID 91482861) is ethane;1-[5-hydroxy-6-(hydroxymethyl)-2-phenyl-1,3-dioxan-4-yl]ethane-1,2-diol.
What is the SMILES notation for ethane;1-[5-hydroxy-6-(hydroxymethyl)-2-phenyl-1,3-dioxan-4-yl]ethane-1,2-diol?
The canonical SMILES for ethane;1-[5-hydroxy-6-(hydroxymethyl)-2-phenyl-1,3-dioxan-4-yl]ethane-1,2-diol is CC.OCC(O)C1OC(c2ccccc2)OC(CO)C1O.
What is the InChIKey of ethane;1-[5-hydroxy-6-(hydroxymethyl)-2-phenyl-1,3-dioxan-4-yl]ethane-1,2-diol?
The InChIKey is RWEZHIAIWFBCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O6.C2H6/c14-6-9(16)12-11(17)10(7-15)18-13(19-12)8-4-2-1-3-5-8;1-2/h1-5,9-17H,6-7H2;1-2H3.
What are the key properties of ethane;1-[5-hydroxy-6-(hydroxymethyl)-2-phenyl-1,3-dioxan-4-yl]ethane-1,2-diol?
ethane;1-[5-hydroxy-6-(hydroxymethyl)-2-phenyl-1,3-dioxan-4-yl]ethane-1,2-diol has a molecular weight of 300.35 g/mol, XLogP of 0.20, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[5-hydroxy-6-(hydroxymethyl)-2-phenyl-1,3-dioxan-4-yl]ethane-1,2-diol is sourced from PubChem (CID 91482861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).