(1R,10S,11R)-11-methyl-12,13-dioxatricyclo[8.2.1.02,7]trideca-2(7),3,5,8-tetraen-3-ol

C12H12O3 — CID 636736

IUPAC(1R,10S,11R)-11-methyl-12,13-dioxatricyclo[8.2.1.02,7]trideca-2(7),3,5,8-tetraen-3-ol
SMILESC[C@H]1O[C@@H]2O[C@H]1C=Cc1cccc(O)c12
InChIInChI=1S/C12H12O3/c1-7-10-6-5-8-3-2-4-9(13)11(8)12(14-7)15-10/h2-7,10,12-13H,1H3/t7-,10+,12-/m1/s1
InChIKeyMQNPAODYALMZAI-INNHCVQGSA-N
MW204.22 g/mol
LogP2.22
Rot. Bonds

About (1R,10S,11R)-11-methyl-12,13-dioxatricyclo[8.2.1.02,7]trideca-2(7),3,5,8-tetraen-3-ol

(1R,10S,11R)-11-methyl-12,13-dioxatricyclo[8.2.1.02,7]trideca-2(7),3,5,8-tetraen-3-ol (PubChem CID 636736) has the molecular formula C12H12O3 and a molecular weight of 204.22 g/mol. Its IUPAC name is (1R,10S,11R)-11-methyl-12,13-dioxatricyclo[8.2.1.02,7]trideca-2(7),3,5,8-tetraen-3-ol.

Molecular Properties

Compound Name(1R,10S,11R)-11-methyl-12,13-dioxatricyclo[8.2.1.02,7]trideca-2(7),3,5,8-tetraen-3-ol
PubChem CID636736
Molecular FormulaC12H12O3
Molecular Weight204.22 g/mol
Exact Mass204.08
IUPAC Name(1R,10S,11R)-11-methyl-12,13-dioxatricyclo[8.2.1.02,7]trideca-2(7),3,5,8-tetraen-3-ol
SMILESC[C@H]1O[C@@H]2O[C@H]1C=Cc1cccc(O)c12
InChIInChI=1S/C12H12O3/c1-7-10-6-5-8-3-2-4-9(13)11(8)12(14-7)15-10/h2-7,10,12-13H,1H3/t7-,10+,12-/m1/s1
InChIKeyMQNPAODYALMZAI-INNHCVQGSA-N
XLogP2.22
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,10S,11R)-11-methyl-12,13-dioxatricyclo[8.2.1.02,7]trideca-2(7),3,5,8-tetraen-3-ol?
The IUPAC name of (1R,10S,11R)-11-methyl-12,13-dioxatricyclo[8.2.1.02,7]trideca-2(7),3,5,8-tetraen-3-ol (CID 636736) is (1R,10S,11R)-11-methyl-12,13-dioxatricyclo[8.2.1.02,7]trideca-2(7),3,5,8-tetraen-3-ol.
What is the SMILES notation for (1R,10S,11R)-11-methyl-12,13-dioxatricyclo[8.2.1.02,7]trideca-2(7),3,5,8-tetraen-3-ol?
The canonical SMILES for (1R,10S,11R)-11-methyl-12,13-dioxatricyclo[8.2.1.02,7]trideca-2(7),3,5,8-tetraen-3-ol is C[C@H]1O[C@@H]2O[C@H]1C=Cc1cccc(O)c12.
What is the InChIKey of (1R,10S,11R)-11-methyl-12,13-dioxatricyclo[8.2.1.02,7]trideca-2(7),3,5,8-tetraen-3-ol?
The InChIKey is MQNPAODYALMZAI-INNHCVQGSA-N. The full InChI is InChI=1S/C12H12O3/c1-7-10-6-5-8-3-2-4-9(13)11(8)12(14-7)15-10/h2-7,10,12-13H,1H3/t7-,10+,12-/m1/s1.
What are the key properties of (1R,10S,11R)-11-methyl-12,13-dioxatricyclo[8.2.1.02,7]trideca-2(7),3,5,8-tetraen-3-ol?
(1R,10S,11R)-11-methyl-12,13-dioxatricyclo[8.2.1.02,7]trideca-2(7),3,5,8-tetraen-3-ol has a molecular weight of 204.22 g/mol, XLogP of 2.22, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,10S,11R)-11-methyl-12,13-dioxatricyclo[8.2.1.02,7]trideca-2(7),3,5,8-tetraen-3-ol is sourced from PubChem (CID 636736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).