bis(2H-pyran-3-yl)methanone

C11H10O3 — CID 18932698

IUPACbis(2H-pyran-3-yl)methanone
SMILESO=C(C1=CC=COC1)C1=CC=COC1
InChIInChI=1S/C11H10O3/c12-11(9-3-1-5-13-7-9)10-4-2-6-14-8-10/h1-6H,7-8H2
InChIKeySLYBNOPUEYIKMT-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.50
Rot. Bonds2

About bis(2H-pyran-3-yl)methanone

bis(2H-pyran-3-yl)methanone (PubChem CID 18932698) has the molecular formula C11H10O3 and a molecular weight of 190.20 g/mol. Its IUPAC name is bis(2H-pyran-3-yl)methanone.

Molecular Properties

Compound Namebis(2H-pyran-3-yl)methanone
PubChem CID18932698
Molecular FormulaC11H10O3
Molecular Weight190.20 g/mol
Exact Mass190.06
IUPAC Namebis(2H-pyran-3-yl)methanone
SMILESO=C(C1=CC=COC1)C1=CC=COC1
InChIInChI=1S/C11H10O3/c12-11(9-3-1-5-13-7-9)10-4-2-6-14-8-10/h1-6H,7-8H2
InChIKeySLYBNOPUEYIKMT-UHFFFAOYSA-N
XLogP1.50
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of bis(2H-pyran-3-yl)methanone?
The IUPAC name of bis(2H-pyran-3-yl)methanone (CID 18932698) is bis(2H-pyran-3-yl)methanone.
What is the SMILES notation for bis(2H-pyran-3-yl)methanone?
The canonical SMILES for bis(2H-pyran-3-yl)methanone is O=C(C1=CC=COC1)C1=CC=COC1.
What is the InChIKey of bis(2H-pyran-3-yl)methanone?
The InChIKey is SLYBNOPUEYIKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3/c12-11(9-3-1-5-13-7-9)10-4-2-6-14-8-10/h1-6H,7-8H2.
What are the key properties of bis(2H-pyran-3-yl)methanone?
bis(2H-pyran-3-yl)methanone has a molecular weight of 190.20 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2H-pyran-3-yl)methanone is sourced from PubChem (CID 18932698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).