(2-ethylfuran-3-yl)-(4-methylfuran-3-yl)methanone

C12H12O3 — CID 131182068

IUPAC(2-ethylfuran-3-yl)-(4-methylfuran-3-yl)methanone
SMILESCCc1occc1C(=O)c1cocc1C
InChIInChI=1S/C12H12O3/c1-3-11-9(4-5-15-11)12(13)10-7-14-6-8(10)2/h4-7H,3H2,1-2H3
InChIKeyASRCCTMVLYKRBZ-UHFFFAOYSA-N
MW204.22 g/mol
LogP2.97
Rot. Bonds3

About (2-ethylfuran-3-yl)-(4-methylfuran-3-yl)methanone

(2-ethylfuran-3-yl)-(4-methylfuran-3-yl)methanone (PubChem CID 131182068) has the molecular formula C12H12O3 and a molecular weight of 204.22 g/mol. Its IUPAC name is (2-ethylfuran-3-yl)-(4-methylfuran-3-yl)methanone.

Molecular Properties

Compound Name(2-ethylfuran-3-yl)-(4-methylfuran-3-yl)methanone
PubChem CID131182068
Molecular FormulaC12H12O3
Molecular Weight204.22 g/mol
Exact Mass204.08
IUPAC Name(2-ethylfuran-3-yl)-(4-methylfuran-3-yl)methanone
SMILESCCc1occc1C(=O)c1cocc1C
InChIInChI=1S/C12H12O3/c1-3-11-9(4-5-15-11)12(13)10-7-14-6-8(10)2/h4-7H,3H2,1-2H3
InChIKeyASRCCTMVLYKRBZ-UHFFFAOYSA-N
XLogP2.97
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-ethylfuran-3-yl)-(4-methylfuran-3-yl)methanone?
The IUPAC name of (2-ethylfuran-3-yl)-(4-methylfuran-3-yl)methanone (CID 131182068) is (2-ethylfuran-3-yl)-(4-methylfuran-3-yl)methanone.
What is the SMILES notation for (2-ethylfuran-3-yl)-(4-methylfuran-3-yl)methanone?
The canonical SMILES for (2-ethylfuran-3-yl)-(4-methylfuran-3-yl)methanone is CCc1occc1C(=O)c1cocc1C.
What is the InChIKey of (2-ethylfuran-3-yl)-(4-methylfuran-3-yl)methanone?
The InChIKey is ASRCCTMVLYKRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O3/c1-3-11-9(4-5-15-11)12(13)10-7-14-6-8(10)2/h4-7H,3H2,1-2H3.
What are the key properties of (2-ethylfuran-3-yl)-(4-methylfuran-3-yl)methanone?
(2-ethylfuran-3-yl)-(4-methylfuran-3-yl)methanone has a molecular weight of 204.22 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylfuran-3-yl)-(4-methylfuran-3-yl)methanone is sourced from PubChem (CID 131182068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).