(12R)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14)-trien-2-ol

C14H16O2 — CID 134526222

IUPAC(12R)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14)-trien-2-ol
SMILESOc1ccc2c3c1O[C@@H]1CCCC(CC2)C31
InChIInChI=1S/C14H16O2/c15-10-7-6-9-5-4-8-2-1-3-11-12(8)13(9)14(10)16-11/h6-8,11-12,15H,1-5H2/t8?,11-,12?/m1/s1
InChIKeyXPJXYONKXBZHTQ-BYIYDRLASA-N
MW216.28 g/mol
LogP2.98
Rot. Bonds

About (12R)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14)-trien-2-ol

(12R)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14)-trien-2-ol (PubChem CID 134526222) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is (12R)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14)-trien-2-ol.

Molecular Properties

Compound Name(12R)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14)-trien-2-ol
PubChem CID134526222
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name(12R)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14)-trien-2-ol
SMILESOc1ccc2c3c1O[C@@H]1CCCC(CC2)C31
InChIInChI=1S/C14H16O2/c15-10-7-6-9-5-4-8-2-1-3-11-12(8)13(9)14(10)16-11/h6-8,11-12,15H,1-5H2/t8?,11-,12?/m1/s1
InChIKeyXPJXYONKXBZHTQ-BYIYDRLASA-N
XLogP2.98
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (12R)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14)-trien-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (12R)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14)-trien-2-ol?
The IUPAC name of (12R)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14)-trien-2-ol (CID 134526222) is (12R)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14)-trien-2-ol.
What is the SMILES notation for (12R)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14)-trien-2-ol?
The canonical SMILES for (12R)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14)-trien-2-ol is Oc1ccc2c3c1O[C@@H]1CCCC(CC2)C31.
What is the InChIKey of (12R)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14)-trien-2-ol?
The InChIKey is XPJXYONKXBZHTQ-BYIYDRLASA-N. The full InChI is InChI=1S/C14H16O2/c15-10-7-6-9-5-4-8-2-1-3-11-12(8)13(9)14(10)16-11/h6-8,11-12,15H,1-5H2/t8?,11-,12?/m1/s1.
What are the key properties of (12R)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14)-trien-2-ol?
(12R)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14)-trien-2-ol has a molecular weight of 216.28 g/mol, XLogP of 2.98, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (12R)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14)-trien-2-ol is sourced from PubChem (CID 134526222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).