4-hydroxy-4a,8-dimethoxy-3,4-dihydrodibenzo-p-dioxin-2-one

C14H14O6 — CID 162994123

IUPAC4-hydroxy-4a,8-dimethoxy-3,4-dihydrodibenzo-p-dioxin-2-one
SMILESCOc1ccc2c(c1)OC1=CC(=O)CC(O)C1(OC)O2
InChIInChI=1S/C14H14O6/c1-17-9-3-4-10-11(7-9)19-13-6-8(15)5-12(16)14(13,18-2)20-10/h3-4,6-7,12,16H,5H2,1-2H3
InChIKeyLMGSGNBFUXSPDM-UHFFFAOYSA-N
MW278.26 g/mol
LogP1.03
Rot. Bonds2

About 4-hydroxy-4a,8-dimethoxy-3,4-dihydrodibenzo-p-dioxin-2-one

4-hydroxy-4a,8-dimethoxy-3,4-dihydrodibenzo-p-dioxin-2-one (PubChem CID 162994123) has the molecular formula C14H14O6 and a molecular weight of 278.26 g/mol. Its IUPAC name is 4-hydroxy-4a,8-dimethoxy-3,4-dihydrodibenzo-p-dioxin-2-one.

Molecular Properties

Compound Name4-hydroxy-4a,8-dimethoxy-3,4-dihydrodibenzo-p-dioxin-2-one
PubChem CID162994123
Molecular FormulaC14H14O6
Molecular Weight278.26 g/mol
Exact Mass278.08
IUPAC Name4-hydroxy-4a,8-dimethoxy-3,4-dihydrodibenzo-p-dioxin-2-one
SMILESCOc1ccc2c(c1)OC1=CC(=O)CC(O)C1(OC)O2
InChIInChI=1S/C14H14O6/c1-17-9-3-4-10-11(7-9)19-13-6-8(15)5-12(16)14(13,18-2)20-10/h3-4,6-7,12,16H,5H2,1-2H3
InChIKeyLMGSGNBFUXSPDM-UHFFFAOYSA-N
XLogP1.03
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4a,8-dimethoxy-3,4-dihydrodibenzo-p-dioxin-2-one?
The IUPAC name of 4-hydroxy-4a,8-dimethoxy-3,4-dihydrodibenzo-p-dioxin-2-one (CID 162994123) is 4-hydroxy-4a,8-dimethoxy-3,4-dihydrodibenzo-p-dioxin-2-one.
What is the SMILES notation for 4-hydroxy-4a,8-dimethoxy-3,4-dihydrodibenzo-p-dioxin-2-one?
The canonical SMILES for 4-hydroxy-4a,8-dimethoxy-3,4-dihydrodibenzo-p-dioxin-2-one is COc1ccc2c(c1)OC1=CC(=O)CC(O)C1(OC)O2.
What is the InChIKey of 4-hydroxy-4a,8-dimethoxy-3,4-dihydrodibenzo-p-dioxin-2-one?
The InChIKey is LMGSGNBFUXSPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O6/c1-17-9-3-4-10-11(7-9)19-13-6-8(15)5-12(16)14(13,18-2)20-10/h3-4,6-7,12,16H,5H2,1-2H3.
What are the key properties of 4-hydroxy-4a,8-dimethoxy-3,4-dihydrodibenzo-p-dioxin-2-one?
4-hydroxy-4a,8-dimethoxy-3,4-dihydrodibenzo-p-dioxin-2-one has a molecular weight of 278.26 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4a,8-dimethoxy-3,4-dihydrodibenzo-p-dioxin-2-one is sourced from PubChem (CID 162994123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).