7-hydroxy-[1,3]benzodioxolo[7,6-c]chromen-4-one

C14H8O5 — CID 171936140

IUPAC7-hydroxy-[1,3]benzodioxolo[7,6-c]chromen-4-one
SMILESO=c1oc2cc(O)ccc2c2ccc3c(c12)OCO3
InChIInChI=1S/C14H8O5/c15-7-1-2-8-9-3-4-10-13(18-6-17-10)12(9)14(16)19-11(8)5-7/h1-5,15H,6H2
InChIKeyGMCUXEBPOQWFCZ-UHFFFAOYSA-N
MW256.21 g/mol
LogP2.38
Rot. Bonds

About 7-hydroxy-[1,3]benzodioxolo[7,6-c]chromen-4-one

7-hydroxy-[1,3]benzodioxolo[7,6-c]chromen-4-one (PubChem CID 171936140) has the molecular formula C14H8O5 and a molecular weight of 256.21 g/mol. Its IUPAC name is 7-hydroxy-[1,3]benzodioxolo[7,6-c]chromen-4-one.

Molecular Properties

Compound Name7-hydroxy-[1,3]benzodioxolo[7,6-c]chromen-4-one
PubChem CID171936140
Molecular FormulaC14H8O5
Molecular Weight256.21 g/mol
Exact Mass256.04
IUPAC Name7-hydroxy-[1,3]benzodioxolo[7,6-c]chromen-4-one
SMILESO=c1oc2cc(O)ccc2c2ccc3c(c12)OCO3
InChIInChI=1S/C14H8O5/c15-7-1-2-8-9-3-4-10-13(18-6-17-10)12(9)14(16)19-11(8)5-7/h1-5,15H,6H2
InChIKeyGMCUXEBPOQWFCZ-UHFFFAOYSA-N
XLogP2.38
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.21
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-[1,3]benzodioxolo[7,6-c]chromen-4-one?
The IUPAC name of 7-hydroxy-[1,3]benzodioxolo[7,6-c]chromen-4-one (CID 171936140) is 7-hydroxy-[1,3]benzodioxolo[7,6-c]chromen-4-one.
What is the SMILES notation for 7-hydroxy-[1,3]benzodioxolo[7,6-c]chromen-4-one?
The canonical SMILES for 7-hydroxy-[1,3]benzodioxolo[7,6-c]chromen-4-one is O=c1oc2cc(O)ccc2c2ccc3c(c12)OCO3.
What is the InChIKey of 7-hydroxy-[1,3]benzodioxolo[7,6-c]chromen-4-one?
The InChIKey is GMCUXEBPOQWFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8O5/c15-7-1-2-8-9-3-4-10-13(18-6-17-10)12(9)14(16)19-11(8)5-7/h1-5,15H,6H2.
What are the key properties of 7-hydroxy-[1,3]benzodioxolo[7,6-c]chromen-4-one?
7-hydroxy-[1,3]benzodioxolo[7,6-c]chromen-4-one has a molecular weight of 256.21 g/mol, XLogP of 2.38, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-[1,3]benzodioxolo[7,6-c]chromen-4-one is sourced from PubChem (CID 171936140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).