(8R)-8-(2-hydroxyethyl)-7-oxabicyclo[4.2.0]octa-1,3,5-trien-8-ol

C9H10O3 — CID 124639588

IUPAC(8R)-8-(2-hydroxyethyl)-7-oxabicyclo[4.2.0]octa-1,3,5-trien-8-ol
SMILESOCC[C@@]1(O)Oc2ccccc21
InChIInChI=1S/C9H10O3/c10-6-5-9(11)7-3-1-2-4-8(7)12-9/h1-4,10-11H,5-6H2/t9-/m1/s1
InChIKeyGIAYBJLAHYYEOR-SECBINFHSA-N
MW166.18 g/mol
LogP0.61
Rot. Bonds2

About (8R)-8-(2-hydroxyethyl)-7-oxabicyclo[4.2.0]octa-1,3,5-trien-8-ol

(8R)-8-(2-hydroxyethyl)-7-oxabicyclo[4.2.0]octa-1,3,5-trien-8-ol (PubChem CID 124639588) has the molecular formula C9H10O3 and a molecular weight of 166.18 g/mol. Its IUPAC name is (8R)-8-(2-hydroxyethyl)-7-oxabicyclo[4.2.0]octa-1,3,5-trien-8-ol.

Molecular Properties

Compound Name(8R)-8-(2-hydroxyethyl)-7-oxabicyclo[4.2.0]octa-1,3,5-trien-8-ol
PubChem CID124639588
Molecular FormulaC9H10O3
Molecular Weight166.18 g/mol
Exact Mass166.06
IUPAC Name(8R)-8-(2-hydroxyethyl)-7-oxabicyclo[4.2.0]octa-1,3,5-trien-8-ol
SMILESOCC[C@@]1(O)Oc2ccccc21
InChIInChI=1S/C9H10O3/c10-6-5-9(11)7-3-1-2-4-8(7)12-9/h1-4,10-11H,5-6H2/t9-/m1/s1
InChIKeyGIAYBJLAHYYEOR-SECBINFHSA-N
XLogP0.61
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (8R)-8-(2-hydroxyethyl)-7-oxabicyclo[4.2.0]octa-1,3,5-trien-8-ol?
The IUPAC name of (8R)-8-(2-hydroxyethyl)-7-oxabicyclo[4.2.0]octa-1,3,5-trien-8-ol (CID 124639588) is (8R)-8-(2-hydroxyethyl)-7-oxabicyclo[4.2.0]octa-1,3,5-trien-8-ol.
What is the SMILES notation for (8R)-8-(2-hydroxyethyl)-7-oxabicyclo[4.2.0]octa-1,3,5-trien-8-ol?
The canonical SMILES for (8R)-8-(2-hydroxyethyl)-7-oxabicyclo[4.2.0]octa-1,3,5-trien-8-ol is OCC[C@@]1(O)Oc2ccccc21.
What is the InChIKey of (8R)-8-(2-hydroxyethyl)-7-oxabicyclo[4.2.0]octa-1,3,5-trien-8-ol?
The InChIKey is GIAYBJLAHYYEOR-SECBINFHSA-N. The full InChI is InChI=1S/C9H10O3/c10-6-5-9(11)7-3-1-2-4-8(7)12-9/h1-4,10-11H,5-6H2/t9-/m1/s1.
What are the key properties of (8R)-8-(2-hydroxyethyl)-7-oxabicyclo[4.2.0]octa-1,3,5-trien-8-ol?
(8R)-8-(2-hydroxyethyl)-7-oxabicyclo[4.2.0]octa-1,3,5-trien-8-ol has a molecular weight of 166.18 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-8-(2-hydroxyethyl)-7-oxabicyclo[4.2.0]octa-1,3,5-trien-8-ol is sourced from PubChem (CID 124639588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).