(1R,9R,12S,14R)-6-hydroxy-4-methoxy-12-methyl-11,15-dioxatetracyclo[10.2.1.02,7.09,14]pentadeca-2(7),3,5-trien-8-one

C15H16O5 — CID 156581085

IUPAC(1R,9R,12S,14R)-6-hydroxy-4-methoxy-12-methyl-11,15-dioxatetracyclo[10.2.1.02,7.09,14]pentadeca-2(7),3,5-trien-8-one
SMILESCOc1cc(O)c2c(c1)[C@@H]1O[C@@]3(C)C[C@@H]1[C@H](CO3)C2=O
InChIInChI=1S/C15H16O5/c1-15-5-9-10(6-19-15)13(17)12-8(14(9)20-15)3-7(18-2)4-11(12)16/h3-4,9-10,14,16H,5-6H2,1-2H3/t9-,10+,14+,15+/m1/s1
InChIKeyJMEVZOTUJQHGDZ-QPNXVFALSA-N
MW276.29 g/mol
LogP2.04
Rot. Bonds1

About (1R,9R,12S,14R)-6-hydroxy-4-methoxy-12-methyl-11,15-dioxatetracyclo[10.2.1.02,7.09,14]pentadeca-2(7),3,5-trien-8-one

(1R,9R,12S,14R)-6-hydroxy-4-methoxy-12-methyl-11,15-dioxatetracyclo[10.2.1.02,7.09,14]pentadeca-2(7),3,5-trien-8-one (PubChem CID 156581085) has the molecular formula C15H16O5 and a molecular weight of 276.29 g/mol. Its IUPAC name is (1R,9R,12S,14R)-6-hydroxy-4-methoxy-12-methyl-11,15-dioxatetracyclo[10.2.1.02,7.09,14]pentadeca-2(7),3,5-trien-8-one.

Molecular Properties

Compound Name(1R,9R,12S,14R)-6-hydroxy-4-methoxy-12-methyl-11,15-dioxatetracyclo[10.2.1.02,7.09,14]pentadeca-2(7),3,5-trien-8-one
PubChem CID156581085
Molecular FormulaC15H16O5
Molecular Weight276.29 g/mol
Exact Mass276.10
IUPAC Name(1R,9R,12S,14R)-6-hydroxy-4-methoxy-12-methyl-11,15-dioxatetracyclo[10.2.1.02,7.09,14]pentadeca-2(7),3,5-trien-8-one
SMILESCOc1cc(O)c2c(c1)[C@@H]1O[C@@]3(C)C[C@@H]1[C@H](CO3)C2=O
InChIInChI=1S/C15H16O5/c1-15-5-9-10(6-19-15)13(17)12-8(14(9)20-15)3-7(18-2)4-11(12)16/h3-4,9-10,14,16H,5-6H2,1-2H3/t9-,10+,14+,15+/m1/s1
InChIKeyJMEVZOTUJQHGDZ-QPNXVFALSA-N
XLogP2.04
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1R,9R,12S,14R)-6-hydroxy-4-methoxy-12-methyl-11,15-dioxatetracyclo[10.2.1.02,7.09,14]pentadeca-2(7),3,5-trien-8-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,9R,12S,14R)-6-hydroxy-4-methoxy-12-methyl-11,15-dioxatetracyclo[10.2.1.02,7.09,14]pentadeca-2(7),3,5-trien-8-one?
The IUPAC name of (1R,9R,12S,14R)-6-hydroxy-4-methoxy-12-methyl-11,15-dioxatetracyclo[10.2.1.02,7.09,14]pentadeca-2(7),3,5-trien-8-one (CID 156581085) is (1R,9R,12S,14R)-6-hydroxy-4-methoxy-12-methyl-11,15-dioxatetracyclo[10.2.1.02,7.09,14]pentadeca-2(7),3,5-trien-8-one.
What is the SMILES notation for (1R,9R,12S,14R)-6-hydroxy-4-methoxy-12-methyl-11,15-dioxatetracyclo[10.2.1.02,7.09,14]pentadeca-2(7),3,5-trien-8-one?
The canonical SMILES for (1R,9R,12S,14R)-6-hydroxy-4-methoxy-12-methyl-11,15-dioxatetracyclo[10.2.1.02,7.09,14]pentadeca-2(7),3,5-trien-8-one is COc1cc(O)c2c(c1)[C@@H]1O[C@@]3(C)C[C@@H]1[C@H](CO3)C2=O.
What is the InChIKey of (1R,9R,12S,14R)-6-hydroxy-4-methoxy-12-methyl-11,15-dioxatetracyclo[10.2.1.02,7.09,14]pentadeca-2(7),3,5-trien-8-one?
The InChIKey is JMEVZOTUJQHGDZ-QPNXVFALSA-N. The full InChI is InChI=1S/C15H16O5/c1-15-5-9-10(6-19-15)13(17)12-8(14(9)20-15)3-7(18-2)4-11(12)16/h3-4,9-10,14,16H,5-6H2,1-2H3/t9-,10+,14+,15+/m1/s1.
What are the key properties of (1R,9R,12S,14R)-6-hydroxy-4-methoxy-12-methyl-11,15-dioxatetracyclo[10.2.1.02,7.09,14]pentadeca-2(7),3,5-trien-8-one?
(1R,9R,12S,14R)-6-hydroxy-4-methoxy-12-methyl-11,15-dioxatetracyclo[10.2.1.02,7.09,14]pentadeca-2(7),3,5-trien-8-one has a molecular weight of 276.29 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,9R,12S,14R)-6-hydroxy-4-methoxy-12-methyl-11,15-dioxatetracyclo[10.2.1.02,7.09,14]pentadeca-2(7),3,5-trien-8-one is sourced from PubChem (CID 156581085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).