2-(2,6-dihydroxy-4-phenylphenyl)-6-(hydroxymethyl)oxane-3,4,5-triol

C18H20O7 — CID 5324504

IUPAC2-(2,6-dihydroxy-4-phenylphenyl)-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESOCC1OC(c2c(O)cc(-c3ccccc3)cc2O)C(O)C(O)C1O
InChIInChI=1S/C18H20O7/c19-8-13-15(22)16(23)17(24)18(25-13)14-11(20)6-10(7-12(14)21)9-4-2-1-3-5-9/h1-7,13,15-24H,8H2
InChIKeyXFERALHYVMKHDH-UHFFFAOYSA-N
MW348.35 g/mol
LogP0.28
Rot. Bonds3

About 2-(2,6-dihydroxy-4-phenylphenyl)-6-(hydroxymethyl)oxane-3,4,5-triol

2-(2,6-dihydroxy-4-phenylphenyl)-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 5324504) has the molecular formula C18H20O7 and a molecular weight of 348.35 g/mol. Its IUPAC name is 2-(2,6-dihydroxy-4-phenylphenyl)-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name2-(2,6-dihydroxy-4-phenylphenyl)-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID5324504
Molecular FormulaC18H20O7
Molecular Weight348.35 g/mol
Exact Mass348.12
IUPAC Name2-(2,6-dihydroxy-4-phenylphenyl)-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESOCC1OC(c2c(O)cc(-c3ccccc3)cc2O)C(O)C(O)C1O
InChIInChI=1S/C18H20O7/c19-8-13-15(22)16(23)17(24)18(25-13)14-11(20)6-10(7-12(14)21)9-4-2-1-3-5-9/h1-7,13,15-24H,8H2
InChIKeyXFERALHYVMKHDH-UHFFFAOYSA-N
XLogP0.28
TPSA130.61 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.35
LogP ≤ 50.28
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

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Related Compounds

1,1'-biphenyl;(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 158276148
(3S,6S)-2-(hydroxymethyl)-6-phenyloxane-3,4,5-triol
CID 134968723
(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[2,4,6-trihydroxy-3-(1-phenylethyl)phenyl]oxane-3,4,5-triol
CID 152624756
1-phenyl-3-[2,4,6-trihydroxy-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]propane-1,3-dione
CID 90657444
2-(hydroxymethyl)-6-[4-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]oxane-3,4,5-triol
CID 123302128
2-phenyl-1-[2,4,6-trihydroxy-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]ethanone
CID 162660670
benzene-1,2-diol;(2R,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 118064590
azulen-2-ylmethanol;(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 67648023
(2R)-5,7-dihydroxy-2-phenyl-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,3-dihydrochromen-4-one
CID 72712218
2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
CID 56670810
3-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
CID 14332014
(2S,3R,4R,5S,6R)-2-[3-[(4-chlorophenyl)methyl]-2,4,6-trihydroxyphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 155680759

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dihydroxy-4-phenylphenyl)-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of 2-(2,6-dihydroxy-4-phenylphenyl)-6-(hydroxymethyl)oxane-3,4,5-triol (CID 5324504) is 2-(2,6-dihydroxy-4-phenylphenyl)-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for 2-(2,6-dihydroxy-4-phenylphenyl)-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for 2-(2,6-dihydroxy-4-phenylphenyl)-6-(hydroxymethyl)oxane-3,4,5-triol is OCC1OC(c2c(O)cc(-c3ccccc3)cc2O)C(O)C(O)C1O.
What is the InChIKey of 2-(2,6-dihydroxy-4-phenylphenyl)-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is XFERALHYVMKHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O7/c19-8-13-15(22)16(23)17(24)18(25-13)14-11(20)6-10(7-12(14)21)9-4-2-1-3-5-9/h1-7,13,15-24H,8H2.
What are the key properties of 2-(2,6-dihydroxy-4-phenylphenyl)-6-(hydroxymethyl)oxane-3,4,5-triol?
2-(2,6-dihydroxy-4-phenylphenyl)-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 348.35 g/mol, XLogP of 0.28, 3 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dihydroxy-4-phenylphenyl)-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 5324504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).