6aH-pyrano[2,3-h]chromen-8-one

C12H8O3 — CID 86753718

IUPAC6aH-pyrano[2,3-h]chromen-8-one
SMILESO=C1C=CC2=C3OC=CC=C3C=CC2O1
InChIInChI=1S/C12H8O3/c13-11-6-4-9-10(15-11)5-3-8-2-1-7-14-12(8)9/h1-7,10H
InChIKeyBDWQUJWUKJRVIT-UHFFFAOYSA-N
MW200.19 g/mol
LogP1.76
Rot. Bonds

About 6aH-pyrano[2,3-h]chromen-8-one

6aH-pyrano[2,3-h]chromen-8-one (PubChem CID 86753718) has the molecular formula C12H8O3 and a molecular weight of 200.19 g/mol. Its IUPAC name is 6aH-pyrano[2,3-h]chromen-8-one.

Molecular Properties

Compound Name6aH-pyrano[2,3-h]chromen-8-one
PubChem CID86753718
Molecular FormulaC12H8O3
Molecular Weight200.19 g/mol
Exact Mass200.05
IUPAC Name6aH-pyrano[2,3-h]chromen-8-one
SMILESO=C1C=CC2=C3OC=CC=C3C=CC2O1
InChIInChI=1S/C12H8O3/c13-11-6-4-9-10(15-11)5-3-8-2-1-7-14-12(8)9/h1-7,10H
InChIKeyBDWQUJWUKJRVIT-UHFFFAOYSA-N
XLogP1.76
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6aH-pyrano[2,3-h]chromen-8-one?
The IUPAC name of 6aH-pyrano[2,3-h]chromen-8-one (CID 86753718) is 6aH-pyrano[2,3-h]chromen-8-one.
What is the SMILES notation for 6aH-pyrano[2,3-h]chromen-8-one?
The canonical SMILES for 6aH-pyrano[2,3-h]chromen-8-one is O=C1C=CC2=C3OC=CC=C3C=CC2O1.
What is the InChIKey of 6aH-pyrano[2,3-h]chromen-8-one?
The InChIKey is BDWQUJWUKJRVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O3/c13-11-6-4-9-10(15-11)5-3-8-2-1-7-14-12(8)9/h1-7,10H.
What are the key properties of 6aH-pyrano[2,3-h]chromen-8-one?
6aH-pyrano[2,3-h]chromen-8-one has a molecular weight of 200.19 g/mol, XLogP of 1.76, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6aH-pyrano[2,3-h]chromen-8-one is sourced from PubChem (CID 86753718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).