2-(hydroxymethyl)-6-(oxan-2-yloxymethyl)-3-phenylmethoxy-4H-pyran-4-ol

C19H24O6 — CID 146182421

IUPAC2-(hydroxymethyl)-6-(oxan-2-yloxymethyl)-3-phenylmethoxy-4H-pyran-4-ol
SMILESOCC1=C(OCc2ccccc2)C(O)C=C(COC2CCCCO2)O1
InChIInChI=1S/C19H24O6/c20-11-17-19(24-12-14-6-2-1-3-7-14)16(21)10-15(25-17)13-23-18-8-4-5-9-22-18/h1-3,6-7,10,16,18,20-21H,4-5,8-9,11-13H2
InChIKeySOMVVLFGLDKPMW-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.23
Rot. Bonds7

About 2-(hydroxymethyl)-6-(oxan-2-yloxymethyl)-3-phenylmethoxy-4H-pyran-4-ol

2-(hydroxymethyl)-6-(oxan-2-yloxymethyl)-3-phenylmethoxy-4H-pyran-4-ol (PubChem CID 146182421) has the molecular formula C19H24O6 and a molecular weight of 348.40 g/mol. Its IUPAC name is 2-(hydroxymethyl)-6-(oxan-2-yloxymethyl)-3-phenylmethoxy-4H-pyran-4-ol.

Molecular Properties

Compound Name2-(hydroxymethyl)-6-(oxan-2-yloxymethyl)-3-phenylmethoxy-4H-pyran-4-ol
PubChem CID146182421
Molecular FormulaC19H24O6
Molecular Weight348.40 g/mol
Exact Mass348.16
IUPAC Name2-(hydroxymethyl)-6-(oxan-2-yloxymethyl)-3-phenylmethoxy-4H-pyran-4-ol
SMILESOCC1=C(OCc2ccccc2)C(O)C=C(COC2CCCCO2)O1
InChIInChI=1S/C19H24O6/c20-11-17-19(24-12-14-6-2-1-3-7-14)16(21)10-15(25-17)13-23-18-8-4-5-9-22-18/h1-3,6-7,10,16,18,20-21H,4-5,8-9,11-13H2
InChIKeySOMVVLFGLDKPMW-UHFFFAOYSA-N
XLogP2.23
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-phenylmethoxyoxetane
CID 23030739
2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]oxane
CID 165126969
2-(4-phenylmethoxyphenoxy)oxane
CID 11076959
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]oxane
CID 162640826
2-[2-[2-(4-phenylmethoxyphenoxy)ethoxy]ethoxy]oxane
CID 168915283
[4-(oxan-2-yloxymethyl)phenyl]-diphenylphosphane
CID 71336769
benzyl (2S)-2-amino-4-(oxan-2-yloxy)butanoate
CID 70956918
2-[(2R)-3,3,3-trifluoro-2-(phenylmethoxymethyl)propoxy]oxane
CID 10495766
2-(oxan-2-yloxymethyl)pyrimidine
CID 154401140
3-(oxan-2-yloxymethyl)-5-(4-phenylmethoxyphenyl)-1,2-oxazole-4-carbonitrile
CID 67079539
[4-[2-[(2S)-oxan-2-yl]oxyethyl]phenyl]methanol
CID 129389896
2-[[2-[[2-[[2-(oxan-2-yloxymethyl)phenyl]methyl]phenyl]methyl]phenyl]methoxy]oxane
CID 10458131

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-6-(oxan-2-yloxymethyl)-3-phenylmethoxy-4H-pyran-4-ol?
The IUPAC name of 2-(hydroxymethyl)-6-(oxan-2-yloxymethyl)-3-phenylmethoxy-4H-pyran-4-ol (CID 146182421) is 2-(hydroxymethyl)-6-(oxan-2-yloxymethyl)-3-phenylmethoxy-4H-pyran-4-ol.
What is the SMILES notation for 2-(hydroxymethyl)-6-(oxan-2-yloxymethyl)-3-phenylmethoxy-4H-pyran-4-ol?
The canonical SMILES for 2-(hydroxymethyl)-6-(oxan-2-yloxymethyl)-3-phenylmethoxy-4H-pyran-4-ol is OCC1=C(OCc2ccccc2)C(O)C=C(COC2CCCCO2)O1.
What is the InChIKey of 2-(hydroxymethyl)-6-(oxan-2-yloxymethyl)-3-phenylmethoxy-4H-pyran-4-ol?
The InChIKey is SOMVVLFGLDKPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O6/c20-11-17-19(24-12-14-6-2-1-3-7-14)16(21)10-15(25-17)13-23-18-8-4-5-9-22-18/h1-3,6-7,10,16,18,20-21H,4-5,8-9,11-13H2.
What are the key properties of 2-(hydroxymethyl)-6-(oxan-2-yloxymethyl)-3-phenylmethoxy-4H-pyran-4-ol?
2-(hydroxymethyl)-6-(oxan-2-yloxymethyl)-3-phenylmethoxy-4H-pyran-4-ol has a molecular weight of 348.40 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-6-(oxan-2-yloxymethyl)-3-phenylmethoxy-4H-pyran-4-ol is sourced from PubChem (CID 146182421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).