(1R,3R,4R,5R,6R)-3-methoxy-7-phenyl-2-oxabicyclo[4.2.0]octane-4,5,6,8-tetrol

C14H18O6 — CID 70150898

IUPAC(1R,3R,4R,5R,6R)-3-methoxy-7-phenyl-2-oxabicyclo[4.2.0]octane-4,5,6,8-tetrol
SMILESCO[C@@H]1O[C@@H]2C(O)C(c3ccccc3)[C@@]2(O)[C@H](O)[C@H]1O
InChIInChI=1S/C14H18O6/c1-19-13-10(16)11(17)14(18)8(9(15)12(14)20-13)7-5-3-2-4-6-7/h2-6,8-13,15-18H,1H3/t8?,9?,10-,11-,12-,13-,14-/m1/s1
InChIKeyQWWFJQKPEQGLRI-UXGMPZPXSA-N
MW282.29 g/mol
LogP-1.03
Rot. Bonds2

About (1R,3R,4R,5R,6R)-3-methoxy-7-phenyl-2-oxabicyclo[4.2.0]octane-4,5,6,8-tetrol

(1R,3R,4R,5R,6R)-3-methoxy-7-phenyl-2-oxabicyclo[4.2.0]octane-4,5,6,8-tetrol (PubChem CID 70150898) has the molecular formula C14H18O6 and a molecular weight of 282.29 g/mol. Its IUPAC name is (1R,3R,4R,5R,6R)-3-methoxy-7-phenyl-2-oxabicyclo[4.2.0]octane-4,5,6,8-tetrol.

Molecular Properties

Compound Name(1R,3R,4R,5R,6R)-3-methoxy-7-phenyl-2-oxabicyclo[4.2.0]octane-4,5,6,8-tetrol
PubChem CID70150898
Molecular FormulaC14H18O6
Molecular Weight282.29 g/mol
Exact Mass282.11
IUPAC Name(1R,3R,4R,5R,6R)-3-methoxy-7-phenyl-2-oxabicyclo[4.2.0]octane-4,5,6,8-tetrol
SMILESCO[C@@H]1O[C@@H]2C(O)C(c3ccccc3)[C@@]2(O)[C@H](O)[C@H]1O
InChIInChI=1S/C14H18O6/c1-19-13-10(16)11(17)14(18)8(9(15)12(14)20-13)7-5-3-2-4-6-7/h2-6,8-13,15-18H,1H3/t8?,9?,10-,11-,12-,13-,14-/m1/s1
InChIKeyQWWFJQKPEQGLRI-UXGMPZPXSA-N
XLogP-1.03
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 5-1.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1R,3R,4R,5R,6R)-3-methoxy-7-phenyl-2-oxabicyclo[4.2.0]octane-4,5,6,8-tetrol?
The IUPAC name of (1R,3R,4R,5R,6R)-3-methoxy-7-phenyl-2-oxabicyclo[4.2.0]octane-4,5,6,8-tetrol (CID 70150898) is (1R,3R,4R,5R,6R)-3-methoxy-7-phenyl-2-oxabicyclo[4.2.0]octane-4,5,6,8-tetrol.
What is the SMILES notation for (1R,3R,4R,5R,6R)-3-methoxy-7-phenyl-2-oxabicyclo[4.2.0]octane-4,5,6,8-tetrol?
The canonical SMILES for (1R,3R,4R,5R,6R)-3-methoxy-7-phenyl-2-oxabicyclo[4.2.0]octane-4,5,6,8-tetrol is CO[C@@H]1O[C@@H]2C(O)C(c3ccccc3)[C@@]2(O)[C@H](O)[C@H]1O.
What is the InChIKey of (1R,3R,4R,5R,6R)-3-methoxy-7-phenyl-2-oxabicyclo[4.2.0]octane-4,5,6,8-tetrol?
The InChIKey is QWWFJQKPEQGLRI-UXGMPZPXSA-N. The full InChI is InChI=1S/C14H18O6/c1-19-13-10(16)11(17)14(18)8(9(15)12(14)20-13)7-5-3-2-4-6-7/h2-6,8-13,15-18H,1H3/t8?,9?,10-,11-,12-,13-,14-/m1/s1.
What are the key properties of (1R,3R,4R,5R,6R)-3-methoxy-7-phenyl-2-oxabicyclo[4.2.0]octane-4,5,6,8-tetrol?
(1R,3R,4R,5R,6R)-3-methoxy-7-phenyl-2-oxabicyclo[4.2.0]octane-4,5,6,8-tetrol has a molecular weight of 282.29 g/mol, XLogP of -1.03, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,4R,5R,6R)-3-methoxy-7-phenyl-2-oxabicyclo[4.2.0]octane-4,5,6,8-tetrol is sourced from PubChem (CID 70150898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).