(1R,9S,10S)-10-methyl-11,12-dioxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-3-ol

C11H12O3 — CID 156582450

IUPAC(1R,9S,10S)-10-methyl-11,12-dioxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-3-ol
SMILESC[C@@H]1O[C@@H]2O[C@H]1Cc1cccc(O)c12
InChIInChI=1S/C11H12O3/c1-6-9-5-7-3-2-4-8(12)10(7)11(13-6)14-9/h2-4,6,9,11-12H,5H2,1H3/t6-,9-,11+/m0/s1
InChIKeyZJSWNJFOIQAGEG-DQBIJJQNSA-N
MW192.21 g/mol
LogP1.75
Rot. Bonds

About (1R,9S,10S)-10-methyl-11,12-dioxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-3-ol

(1R,9S,10S)-10-methyl-11,12-dioxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-3-ol (PubChem CID 156582450) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is (1R,9S,10S)-10-methyl-11,12-dioxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-3-ol.

Molecular Properties

Compound Name(1R,9S,10S)-10-methyl-11,12-dioxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-3-ol
PubChem CID156582450
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name(1R,9S,10S)-10-methyl-11,12-dioxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-3-ol
SMILESC[C@@H]1O[C@@H]2O[C@H]1Cc1cccc(O)c12
InChIInChI=1S/C11H12O3/c1-6-9-5-7-3-2-4-8(12)10(7)11(13-6)14-9/h2-4,6,9,11-12H,5H2,1H3/t6-,9-,11+/m0/s1
InChIKeyZJSWNJFOIQAGEG-DQBIJJQNSA-N
XLogP1.75
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (1R,9S,10S)-10-methyl-11,12-dioxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-3-ol?
The IUPAC name of (1R,9S,10S)-10-methyl-11,12-dioxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-3-ol (CID 156582450) is (1R,9S,10S)-10-methyl-11,12-dioxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-3-ol.
What is the SMILES notation for (1R,9S,10S)-10-methyl-11,12-dioxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-3-ol?
The canonical SMILES for (1R,9S,10S)-10-methyl-11,12-dioxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-3-ol is C[C@@H]1O[C@@H]2O[C@H]1Cc1cccc(O)c12.
What is the InChIKey of (1R,9S,10S)-10-methyl-11,12-dioxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-3-ol?
The InChIKey is ZJSWNJFOIQAGEG-DQBIJJQNSA-N. The full InChI is InChI=1S/C11H12O3/c1-6-9-5-7-3-2-4-8(12)10(7)11(13-6)14-9/h2-4,6,9,11-12H,5H2,1H3/t6-,9-,11+/m0/s1.
What are the key properties of (1R,9S,10S)-10-methyl-11,12-dioxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-3-ol?
(1R,9S,10S)-10-methyl-11,12-dioxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-3-ol has a molecular weight of 192.21 g/mol, XLogP of 1.75, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,9S,10S)-10-methyl-11,12-dioxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-3-ol is sourced from PubChem (CID 156582450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).