4-hydroxy-9-methoxy-2-methyl-12H-benzo[b][1,5]benzodioxocin-10-one

C16H14O5 — CID 134814397

IUPAC4-hydroxy-9-methoxy-2-methyl-12H-benzo[b][1,5]benzodioxocin-10-one
SMILESCOc1cccc2c1C(=O)OCc1cc(C)cc(O)c1O2
InChIInChI=1S/C16H14O5/c1-9-6-10-8-20-16(18)14-12(19-2)4-3-5-13(14)21-15(10)11(17)7-9/h3-7,17H,8H2,1-2H3
InChIKeyIVDTVTYLOZSMTC-UHFFFAOYSA-N
MW286.28 g/mol
LogP3.17
Rot. Bonds1

About 4-hydroxy-9-methoxy-2-methyl-12H-benzo[b][1,5]benzodioxocin-10-one

4-hydroxy-9-methoxy-2-methyl-12H-benzo[b][1,5]benzodioxocin-10-one (PubChem CID 134814397) has the molecular formula C16H14O5 and a molecular weight of 286.28 g/mol. Its IUPAC name is 4-hydroxy-9-methoxy-2-methyl-12H-benzo[b][1,5]benzodioxocin-10-one.

Molecular Properties

Compound Name4-hydroxy-9-methoxy-2-methyl-12H-benzo[b][1,5]benzodioxocin-10-one
PubChem CID134814397
Molecular FormulaC16H14O5
Molecular Weight286.28 g/mol
Exact Mass286.08
IUPAC Name4-hydroxy-9-methoxy-2-methyl-12H-benzo[b][1,5]benzodioxocin-10-one
SMILESCOc1cccc2c1C(=O)OCc1cc(C)cc(O)c1O2
InChIInChI=1S/C16H14O5/c1-9-6-10-8-20-16(18)14-12(19-2)4-3-5-13(14)21-15(10)11(17)7-9/h3-7,17H,8H2,1-2H3
InChIKeyIVDTVTYLOZSMTC-UHFFFAOYSA-N
XLogP3.17
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-9-methoxy-2-methyl-12H-benzo[b][1,5]benzodioxocin-10-one?
The IUPAC name of 4-hydroxy-9-methoxy-2-methyl-12H-benzo[b][1,5]benzodioxocin-10-one (CID 134814397) is 4-hydroxy-9-methoxy-2-methyl-12H-benzo[b][1,5]benzodioxocin-10-one.
What is the SMILES notation for 4-hydroxy-9-methoxy-2-methyl-12H-benzo[b][1,5]benzodioxocin-10-one?
The canonical SMILES for 4-hydroxy-9-methoxy-2-methyl-12H-benzo[b][1,5]benzodioxocin-10-one is COc1cccc2c1C(=O)OCc1cc(C)cc(O)c1O2.
What is the InChIKey of 4-hydroxy-9-methoxy-2-methyl-12H-benzo[b][1,5]benzodioxocin-10-one?
The InChIKey is IVDTVTYLOZSMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O5/c1-9-6-10-8-20-16(18)14-12(19-2)4-3-5-13(14)21-15(10)11(17)7-9/h3-7,17H,8H2,1-2H3.
What are the key properties of 4-hydroxy-9-methoxy-2-methyl-12H-benzo[b][1,5]benzodioxocin-10-one?
4-hydroxy-9-methoxy-2-methyl-12H-benzo[b][1,5]benzodioxocin-10-one has a molecular weight of 286.28 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-9-methoxy-2-methyl-12H-benzo[b][1,5]benzodioxocin-10-one is sourced from PubChem (CID 134814397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).