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

C12H14O2 — CID 11148193

IUPAC(1S,9R)-1-methyl-12-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-5-ol
SMILESC[C@]12CC[C@H](Cc3cc(O)ccc31)O2
InChIInChI=1S/C12H14O2/c1-12-5-4-10(14-12)7-8-6-9(13)2-3-11(8)12/h2-3,6,10,13H,4-5,7H2,1H3/t10-,12+/m1/s1
InChIKeyZQFOIAZVGMJWKM-PWSUYJOCSA-N
MW190.24 g/mol
LogP2.34
Rot. Bonds

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

(1S,9R)-1-methyl-12-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-5-ol (PubChem CID 11148193) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is (1S,9R)-1-methyl-12-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-5-ol.

Molecular Properties

Compound Name(1S,9R)-1-methyl-12-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-5-ol
PubChem CID11148193
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name(1S,9R)-1-methyl-12-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-5-ol
SMILESC[C@]12CC[C@H](Cc3cc(O)ccc31)O2
InChIInChI=1S/C12H14O2/c1-12-5-4-10(14-12)7-8-6-9(13)2-3-11(8)12/h2-3,6,10,13H,4-5,7H2,1H3/t10-,12+/m1/s1
InChIKeyZQFOIAZVGMJWKM-PWSUYJOCSA-N
XLogP2.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,9R)-1-methyl-12-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-5-ol?
The IUPAC name of (1S,9R)-1-methyl-12-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-5-ol (CID 11148193) is (1S,9R)-1-methyl-12-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-5-ol.
What is the SMILES notation for (1S,9R)-1-methyl-12-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-5-ol?
The canonical SMILES for (1S,9R)-1-methyl-12-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-5-ol is C[C@]12CC[C@H](Cc3cc(O)ccc31)O2.
What is the InChIKey of (1S,9R)-1-methyl-12-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-5-ol?
The InChIKey is ZQFOIAZVGMJWKM-PWSUYJOCSA-N. The full InChI is InChI=1S/C12H14O2/c1-12-5-4-10(14-12)7-8-6-9(13)2-3-11(8)12/h2-3,6,10,13H,4-5,7H2,1H3/t10-,12+/m1/s1.
What are the key properties of (1S,9R)-1-methyl-12-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-5-ol?
(1S,9R)-1-methyl-12-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-5-ol has a molecular weight of 190.24 g/mol, XLogP of 2.34, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,9R)-1-methyl-12-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-5-ol is sourced from PubChem (CID 11148193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).