13-hydroxy-4-methoxytricyclo[6.3.3.02,7]tetradeca-2(7),3,5-trien-10-one

C15H18O3 — CID 146286807

IUPAC13-hydroxy-4-methoxytricyclo[6.3.3.02,7]tetradeca-2(7),3,5-trien-10-one
SMILESCOc1ccc2c(c1)C1CC(=O)CC2CC(O)C1
InChIInChI=1S/C15H18O3/c1-18-13-2-3-14-9-4-11(16)6-10(15(14)8-13)7-12(17)5-9/h2-3,8-11,16H,4-7H2,1H3
InChIKeyHFTOQRLBLIBAHS-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.38
Rot. Bonds1

About 13-hydroxy-4-methoxytricyclo[6.3.3.02,7]tetradeca-2(7),3,5-trien-10-one

13-hydroxy-4-methoxytricyclo[6.3.3.02,7]tetradeca-2(7),3,5-trien-10-one (PubChem CID 146286807) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is 13-hydroxy-4-methoxytricyclo[6.3.3.02,7]tetradeca-2(7),3,5-trien-10-one.

Molecular Properties

Compound Name13-hydroxy-4-methoxytricyclo[6.3.3.02,7]tetradeca-2(7),3,5-trien-10-one
PubChem CID146286807
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Name13-hydroxy-4-methoxytricyclo[6.3.3.02,7]tetradeca-2(7),3,5-trien-10-one
SMILESCOc1ccc2c(c1)C1CC(=O)CC2CC(O)C1
InChIInChI=1S/C15H18O3/c1-18-13-2-3-14-9-4-11(16)6-10(15(14)8-13)7-12(17)5-9/h2-3,8-11,16H,4-7H2,1H3
InChIKeyHFTOQRLBLIBAHS-UHFFFAOYSA-N
XLogP2.38
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 13-hydroxy-4-methoxytricyclo[6.3.3.02,7]tetradeca-2(7),3,5-trien-10-one?
The IUPAC name of 13-hydroxy-4-methoxytricyclo[6.3.3.02,7]tetradeca-2(7),3,5-trien-10-one (CID 146286807) is 13-hydroxy-4-methoxytricyclo[6.3.3.02,7]tetradeca-2(7),3,5-trien-10-one.
What is the SMILES notation for 13-hydroxy-4-methoxytricyclo[6.3.3.02,7]tetradeca-2(7),3,5-trien-10-one?
The canonical SMILES for 13-hydroxy-4-methoxytricyclo[6.3.3.02,7]tetradeca-2(7),3,5-trien-10-one is COc1ccc2c(c1)C1CC(=O)CC2CC(O)C1.
What is the InChIKey of 13-hydroxy-4-methoxytricyclo[6.3.3.02,7]tetradeca-2(7),3,5-trien-10-one?
The InChIKey is HFTOQRLBLIBAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3/c1-18-13-2-3-14-9-4-11(16)6-10(15(14)8-13)7-12(17)5-9/h2-3,8-11,16H,4-7H2,1H3.
What are the key properties of 13-hydroxy-4-methoxytricyclo[6.3.3.02,7]tetradeca-2(7),3,5-trien-10-one?
13-hydroxy-4-methoxytricyclo[6.3.3.02,7]tetradeca-2(7),3,5-trien-10-one has a molecular weight of 246.31 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 13-hydroxy-4-methoxytricyclo[6.3.3.02,7]tetradeca-2(7),3,5-trien-10-one is sourced from PubChem (CID 146286807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).