2H-pyran-2-yl(2H-pyran-6-yl)methanone

C11H10O3 — CID 66751383

IUPAC2H-pyran-2-yl(2H-pyran-6-yl)methanone
SMILESO=C(C1=CC=CCO1)C1C=CC=CO1
InChIInChI=1S/C11H10O3/c12-11(9-5-1-3-7-13-9)10-6-2-4-8-14-10/h1-7,9H,8H2
InChIKeyZINDRBJGRWWNIY-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.49
Rot. Bonds2

About 2H-pyran-2-yl(2H-pyran-6-yl)methanone

2H-pyran-2-yl(2H-pyran-6-yl)methanone (PubChem CID 66751383) has the molecular formula C11H10O3 and a molecular weight of 190.20 g/mol. Its IUPAC name is 2H-pyran-2-yl(2H-pyran-6-yl)methanone.

Molecular Properties

Compound Name2H-pyran-2-yl(2H-pyran-6-yl)methanone
PubChem CID66751383
Molecular FormulaC11H10O3
Molecular Weight190.20 g/mol
Exact Mass190.06
IUPAC Name2H-pyran-2-yl(2H-pyran-6-yl)methanone
SMILESO=C(C1=CC=CCO1)C1C=CC=CO1
InChIInChI=1S/C11H10O3/c12-11(9-5-1-3-7-13-9)10-6-2-4-8-14-10/h1-7,9H,8H2
InChIKeyZINDRBJGRWWNIY-UHFFFAOYSA-N
XLogP1.49
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 ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2H-pyran-2-yl(2H-pyran-6-yl)methanone?
The IUPAC name of 2H-pyran-2-yl(2H-pyran-6-yl)methanone (CID 66751383) is 2H-pyran-2-yl(2H-pyran-6-yl)methanone.
What is the SMILES notation for 2H-pyran-2-yl(2H-pyran-6-yl)methanone?
The canonical SMILES for 2H-pyran-2-yl(2H-pyran-6-yl)methanone is O=C(C1=CC=CCO1)C1C=CC=CO1.
What is the InChIKey of 2H-pyran-2-yl(2H-pyran-6-yl)methanone?
The InChIKey is ZINDRBJGRWWNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3/c12-11(9-5-1-3-7-13-9)10-6-2-4-8-14-10/h1-7,9H,8H2.
What are the key properties of 2H-pyran-2-yl(2H-pyran-6-yl)methanone?
2H-pyran-2-yl(2H-pyran-6-yl)methanone has a molecular weight of 190.20 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-pyran-2-yl(2H-pyran-6-yl)methanone is sourced from PubChem (CID 66751383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).