6a,12a-dihydro-5H-isochromeno[3,4-b]chromen-12-one

C16H12O3 — CID 175058457

IUPAC6a,12a-dihydro-5H-isochromeno[3,4-b]chromen-12-one
SMILESO=C1c2ccccc2OC2OCc3ccccc3C12
InChIInChI=1S/C16H12O3/c17-15-12-7-3-4-8-13(12)19-16-14(15)11-6-2-1-5-10(11)9-18-16/h1-8,14,16H,9H2
InChIKeyYDCUVKIJLZLJPP-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.90
Rot. Bonds

About 6a,12a-dihydro-5H-isochromeno[3,4-b]chromen-12-one

6a,12a-dihydro-5H-isochromeno[3,4-b]chromen-12-one (PubChem CID 175058457) has the molecular formula C16H12O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 6a,12a-dihydro-5H-isochromeno[3,4-b]chromen-12-one.

Molecular Properties

Compound Name6a,12a-dihydro-5H-isochromeno[3,4-b]chromen-12-one
PubChem CID175058457
Molecular FormulaC16H12O3
Molecular Weight252.27 g/mol
Exact Mass252.08
IUPAC Name6a,12a-dihydro-5H-isochromeno[3,4-b]chromen-12-one
SMILESO=C1c2ccccc2OC2OCc3ccccc3C12
InChIInChI=1S/C16H12O3/c17-15-12-7-3-4-8-13(12)19-16-14(15)11-6-2-1-5-10(11)9-18-16/h1-8,14,16H,9H2
InChIKeyYDCUVKIJLZLJPP-UHFFFAOYSA-N
XLogP2.90
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6a,12a-dihydro-5H-isochromeno[3,4-b]chromen-12-one?
The IUPAC name of 6a,12a-dihydro-5H-isochromeno[3,4-b]chromen-12-one (CID 175058457) is 6a,12a-dihydro-5H-isochromeno[3,4-b]chromen-12-one.
What is the SMILES notation for 6a,12a-dihydro-5H-isochromeno[3,4-b]chromen-12-one?
The canonical SMILES for 6a,12a-dihydro-5H-isochromeno[3,4-b]chromen-12-one is O=C1c2ccccc2OC2OCc3ccccc3C12.
What is the InChIKey of 6a,12a-dihydro-5H-isochromeno[3,4-b]chromen-12-one?
The InChIKey is YDCUVKIJLZLJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O3/c17-15-12-7-3-4-8-13(12)19-16-14(15)11-6-2-1-5-10(11)9-18-16/h1-8,14,16H,9H2.
What are the key properties of 6a,12a-dihydro-5H-isochromeno[3,4-b]chromen-12-one?
6a,12a-dihydro-5H-isochromeno[3,4-b]chromen-12-one has a molecular weight of 252.27 g/mol, XLogP of 2.90, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6a,12a-dihydro-5H-isochromeno[3,4-b]chromen-12-one is sourced from PubChem (CID 175058457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).