bis(2-methyl-3H-furan-2-yl)methanone

C11H14O3 — CID 174880617

IUPACbis(2-methyl-3H-furan-2-yl)methanone
SMILESCC1(C(=O)C2(C)CC=CO2)CC=CO1
InChIInChI=1S/C11H14O3/c1-10(5-3-7-13-10)9(12)11(2)6-4-8-14-11/h3-4,7-8H,5-6H2,1-2H3
InChIKeyCDRFJLPHCGOBTF-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.94
Rot. Bonds2

About bis(2-methyl-3H-furan-2-yl)methanone

bis(2-methyl-3H-furan-2-yl)methanone (PubChem CID 174880617) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is bis(2-methyl-3H-furan-2-yl)methanone.

Molecular Properties

Compound Namebis(2-methyl-3H-furan-2-yl)methanone
PubChem CID174880617
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Namebis(2-methyl-3H-furan-2-yl)methanone
SMILESCC1(C(=O)C2(C)CC=CO2)CC=CO1
InChIInChI=1S/C11H14O3/c1-10(5-3-7-13-10)9(12)11(2)6-4-8-14-11/h3-4,7-8H,5-6H2,1-2H3
InChIKeyCDRFJLPHCGOBTF-UHFFFAOYSA-N
XLogP1.94
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of bis(2-methyl-3H-furan-2-yl)methanone?
The IUPAC name of bis(2-methyl-3H-furan-2-yl)methanone (CID 174880617) is bis(2-methyl-3H-furan-2-yl)methanone.
What is the SMILES notation for bis(2-methyl-3H-furan-2-yl)methanone?
The canonical SMILES for bis(2-methyl-3H-furan-2-yl)methanone is CC1(C(=O)C2(C)CC=CO2)CC=CO1.
What is the InChIKey of bis(2-methyl-3H-furan-2-yl)methanone?
The InChIKey is CDRFJLPHCGOBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-10(5-3-7-13-10)9(12)11(2)6-4-8-14-11/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of bis(2-methyl-3H-furan-2-yl)methanone?
bis(2-methyl-3H-furan-2-yl)methanone has a molecular weight of 194.23 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methyl-3H-furan-2-yl)methanone is sourced from PubChem (CID 174880617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).