2-(4-methoxyfuran-3-yl)-3,4-dimethyl-2H-pyran

C12H14O3 — CID 173139061

IUPAC2-(4-methoxyfuran-3-yl)-3,4-dimethyl-2H-pyran
SMILESCOc1cocc1C1OC=CC(C)=C1C
InChIInChI=1S/C12H14O3/c1-8-4-5-15-12(9(8)2)10-6-14-7-11(10)13-3/h4-7,12H,1-3H3
InChIKeySQOCZKLTFCGMEH-UHFFFAOYSA-N
MW206.24 g/mol
LogP3.21
Rot. Bonds2

About 2-(4-methoxyfuran-3-yl)-3,4-dimethyl-2H-pyran

2-(4-methoxyfuran-3-yl)-3,4-dimethyl-2H-pyran (PubChem CID 173139061) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 2-(4-methoxyfuran-3-yl)-3,4-dimethyl-2H-pyran.

Molecular Properties

Compound Name2-(4-methoxyfuran-3-yl)-3,4-dimethyl-2H-pyran
PubChem CID173139061
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name2-(4-methoxyfuran-3-yl)-3,4-dimethyl-2H-pyran
SMILESCOc1cocc1C1OC=CC(C)=C1C
InChIInChI=1S/C12H14O3/c1-8-4-5-15-12(9(8)2)10-6-14-7-11(10)13-3/h4-7,12H,1-3H3
InChIKeySQOCZKLTFCGMEH-UHFFFAOYSA-N
XLogP3.21
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyfuran-3-yl)-3,4-dimethyl-2H-pyran?
The IUPAC name of 2-(4-methoxyfuran-3-yl)-3,4-dimethyl-2H-pyran (CID 173139061) is 2-(4-methoxyfuran-3-yl)-3,4-dimethyl-2H-pyran.
What is the SMILES notation for 2-(4-methoxyfuran-3-yl)-3,4-dimethyl-2H-pyran?
The canonical SMILES for 2-(4-methoxyfuran-3-yl)-3,4-dimethyl-2H-pyran is COc1cocc1C1OC=CC(C)=C1C.
What is the InChIKey of 2-(4-methoxyfuran-3-yl)-3,4-dimethyl-2H-pyran?
The InChIKey is SQOCZKLTFCGMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-8-4-5-15-12(9(8)2)10-6-14-7-11(10)13-3/h4-7,12H,1-3H3.
What are the key properties of 2-(4-methoxyfuran-3-yl)-3,4-dimethyl-2H-pyran?
2-(4-methoxyfuran-3-yl)-3,4-dimethyl-2H-pyran has a molecular weight of 206.24 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyfuran-3-yl)-3,4-dimethyl-2H-pyran is sourced from PubChem (CID 173139061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).