furan-3-yl-(5-methylfuran-3-yl)methanone

C10H8O3 — CID 114971729

IUPACfuran-3-yl-(5-methylfuran-3-yl)methanone
SMILESCc1cc(C(=O)c2ccoc2)co1
InChIInChI=1S/C10H8O3/c1-7-4-9(6-13-7)10(11)8-2-3-12-5-8/h2-6H,1H3
InChIKeySREWRUXOKBTMDH-UHFFFAOYSA-N
MW176.17 g/mol
LogP2.41
Rot. Bonds2

About furan-3-yl-(5-methylfuran-3-yl)methanone

furan-3-yl-(5-methylfuran-3-yl)methanone (PubChem CID 114971729) has the molecular formula C10H8O3 and a molecular weight of 176.17 g/mol. Its IUPAC name is furan-3-yl-(5-methylfuran-3-yl)methanone.

Molecular Properties

Compound Namefuran-3-yl-(5-methylfuran-3-yl)methanone
PubChem CID114971729
Molecular FormulaC10H8O3
Molecular Weight176.17 g/mol
Exact Mass176.05
IUPAC Namefuran-3-yl-(5-methylfuran-3-yl)methanone
SMILESCc1cc(C(=O)c2ccoc2)co1
InChIInChI=1S/C10H8O3/c1-7-4-9(6-13-7)10(11)8-2-3-12-5-8/h2-6H,1H3
InChIKeySREWRUXOKBTMDH-UHFFFAOYSA-N
XLogP2.41
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of furan-3-yl-(5-methylfuran-3-yl)methanone?
The IUPAC name of furan-3-yl-(5-methylfuran-3-yl)methanone (CID 114971729) is furan-3-yl-(5-methylfuran-3-yl)methanone.
What is the SMILES notation for furan-3-yl-(5-methylfuran-3-yl)methanone?
The canonical SMILES for furan-3-yl-(5-methylfuran-3-yl)methanone is Cc1cc(C(=O)c2ccoc2)co1.
What is the InChIKey of furan-3-yl-(5-methylfuran-3-yl)methanone?
The InChIKey is SREWRUXOKBTMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O3/c1-7-4-9(6-13-7)10(11)8-2-3-12-5-8/h2-6H,1H3.
What are the key properties of furan-3-yl-(5-methylfuran-3-yl)methanone?
furan-3-yl-(5-methylfuran-3-yl)methanone has a molecular weight of 176.17 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-yl-(5-methylfuran-3-yl)methanone is sourced from PubChem (CID 114971729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).