1-(8-hydroxy-10,11-dimethoxy-7-methyl-2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-6-yl)ethanone

C16H16O6 — CID 14861244

IUPAC1-(8-hydroxy-10,11-dimethoxy-7-methyl-2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-6-yl)ethanone
SMILESCOc1cc2c3c(c(C(C)=O)c(C)c(O)c3c1OC)OCO2
InChIInChI=1S/C16H16O6/c1-7-11(8(2)17)16-12-9(21-6-22-16)5-10(19-3)15(20-4)13(12)14(7)18/h5,18H,6H2,1-4H3
InChIKeyJBCKGCYMPSIBNE-UHFFFAOYSA-N
MW304.30 g/mol
LogP2.80
Rot. Bonds3

About 1-(8-hydroxy-10,11-dimethoxy-7-methyl-2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-6-yl)ethanone

1-(8-hydroxy-10,11-dimethoxy-7-methyl-2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-6-yl)ethanone (PubChem CID 14861244) has the molecular formula C16H16O6 and a molecular weight of 304.30 g/mol. Its IUPAC name is 1-(8-hydroxy-10,11-dimethoxy-7-methyl-2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-6-yl)ethanone.

Molecular Properties

Compound Name1-(8-hydroxy-10,11-dimethoxy-7-methyl-2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-6-yl)ethanone
PubChem CID14861244
Molecular FormulaC16H16O6
Molecular Weight304.30 g/mol
Exact Mass304.09
IUPAC Name1-(8-hydroxy-10,11-dimethoxy-7-methyl-2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-6-yl)ethanone
SMILESCOc1cc2c3c(c(C(C)=O)c(C)c(O)c3c1OC)OCO2
InChIInChI=1S/C16H16O6/c1-7-11(8(2)17)16-12-9(21-6-22-16)5-10(19-3)15(20-4)13(12)14(7)18/h5,18H,6H2,1-4H3
InChIKeyJBCKGCYMPSIBNE-UHFFFAOYSA-N
XLogP2.80
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(8-hydroxy-10,11-dimethoxy-7-methyl-2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-6-yl)ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(8-hydroxy-10,11-dimethoxy-7-methyl-2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-6-yl)ethanone?
The IUPAC name of 1-(8-hydroxy-10,11-dimethoxy-7-methyl-2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-6-yl)ethanone (CID 14861244) is 1-(8-hydroxy-10,11-dimethoxy-7-methyl-2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-6-yl)ethanone.
What is the SMILES notation for 1-(8-hydroxy-10,11-dimethoxy-7-methyl-2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-6-yl)ethanone?
The canonical SMILES for 1-(8-hydroxy-10,11-dimethoxy-7-methyl-2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-6-yl)ethanone is COc1cc2c3c(c(C(C)=O)c(C)c(O)c3c1OC)OCO2.
What is the InChIKey of 1-(8-hydroxy-10,11-dimethoxy-7-methyl-2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-6-yl)ethanone?
The InChIKey is JBCKGCYMPSIBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O6/c1-7-11(8(2)17)16-12-9(21-6-22-16)5-10(19-3)15(20-4)13(12)14(7)18/h5,18H,6H2,1-4H3.
What are the key properties of 1-(8-hydroxy-10,11-dimethoxy-7-methyl-2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-6-yl)ethanone?
1-(8-hydroxy-10,11-dimethoxy-7-methyl-2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-6-yl)ethanone has a molecular weight of 304.30 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-hydroxy-10,11-dimethoxy-7-methyl-2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-6-yl)ethanone is sourced from PubChem (CID 14861244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).