7,8-dihydroxy-6-methoxy-3,3-dimethyl-2,4-dihydrodibenzofuran-1-one

C15H16O5 — CID 71571595

IUPAC7,8-dihydroxy-6-methoxy-3,3-dimethyl-2,4-dihydrodibenzofuran-1-one
SMILESCOc1c(O)c(O)cc2c3c(oc12)CC(C)(C)CC3=O
InChIInChI=1S/C15H16O5/c1-15(2)5-9(17)11-7-4-8(16)12(18)14(19-3)13(7)20-10(11)6-15/h4,16,18H,5-6H2,1-3H3
InChIKeyIKRKVVPOYJGMIE-UHFFFAOYSA-N
MW276.29 g/mol
LogP3.01
Rot. Bonds1

About 7,8-dihydroxy-6-methoxy-3,3-dimethyl-2,4-dihydrodibenzofuran-1-one

7,8-dihydroxy-6-methoxy-3,3-dimethyl-2,4-dihydrodibenzofuran-1-one (PubChem CID 71571595) has the molecular formula C15H16O5 and a molecular weight of 276.29 g/mol. Its IUPAC name is 7,8-dihydroxy-6-methoxy-3,3-dimethyl-2,4-dihydrodibenzofuran-1-one.

Molecular Properties

Compound Name7,8-dihydroxy-6-methoxy-3,3-dimethyl-2,4-dihydrodibenzofuran-1-one
PubChem CID71571595
Molecular FormulaC15H16O5
Molecular Weight276.29 g/mol
Exact Mass276.10
IUPAC Name7,8-dihydroxy-6-methoxy-3,3-dimethyl-2,4-dihydrodibenzofuran-1-one
SMILESCOc1c(O)c(O)cc2c3c(oc12)CC(C)(C)CC3=O
InChIInChI=1S/C15H16O5/c1-15(2)5-9(17)11-7-4-8(16)12(18)14(19-3)13(7)20-10(11)6-15/h4,16,18H,5-6H2,1-3H3
InChIKeyIKRKVVPOYJGMIE-UHFFFAOYSA-N
XLogP3.01
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7,8-dihydroxy-6-methoxy-3,3-dimethyl-2,4-dihydrodibenzofuran-1-one?
The IUPAC name of 7,8-dihydroxy-6-methoxy-3,3-dimethyl-2,4-dihydrodibenzofuran-1-one (CID 71571595) is 7,8-dihydroxy-6-methoxy-3,3-dimethyl-2,4-dihydrodibenzofuran-1-one.
What is the SMILES notation for 7,8-dihydroxy-6-methoxy-3,3-dimethyl-2,4-dihydrodibenzofuran-1-one?
The canonical SMILES for 7,8-dihydroxy-6-methoxy-3,3-dimethyl-2,4-dihydrodibenzofuran-1-one is COc1c(O)c(O)cc2c3c(oc12)CC(C)(C)CC3=O.
What is the InChIKey of 7,8-dihydroxy-6-methoxy-3,3-dimethyl-2,4-dihydrodibenzofuran-1-one?
The InChIKey is IKRKVVPOYJGMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O5/c1-15(2)5-9(17)11-7-4-8(16)12(18)14(19-3)13(7)20-10(11)6-15/h4,16,18H,5-6H2,1-3H3.
What are the key properties of 7,8-dihydroxy-6-methoxy-3,3-dimethyl-2,4-dihydrodibenzofuran-1-one?
7,8-dihydroxy-6-methoxy-3,3-dimethyl-2,4-dihydrodibenzofuran-1-one has a molecular weight of 276.29 g/mol, XLogP of 3.01, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dihydroxy-6-methoxy-3,3-dimethyl-2,4-dihydrodibenzofuran-1-one is sourced from PubChem (CID 71571595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).