3-methylfuran

C5H6O — CID 13587

IUPAC3-methylfuran
SMILESCc1ccoc1
InChIInChI=1S/C5H6O/c1-5-2-3-6-4-5/h2-4H,1H3
InChIKeyKJRRQXYWFQKJIP-UHFFFAOYSA-N
MW82.10 g/mol
LogP1.59
Rot. Bonds

About 3-methylfuran

3-methylfuran (PubChem CID 13587) has the molecular formula C5H6O and a molecular weight of 82.10 g/mol. Its IUPAC name is 3-methylfuran.

Molecular Properties

Compound Name3-methylfuran
PubChem CID13587
Molecular FormulaC5H6O
Molecular Weight82.10 g/mol
Exact Mass82.04
IUPAC Name3-methylfuran
SMILESCc1ccoc1
InChIInChI=1S/C5H6O/c1-5-2-3-6-4-5/h2-4H,1H3
InChIKeyKJRRQXYWFQKJIP-UHFFFAOYSA-N
XLogP1.59
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50082.10
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methylfuran?
The IUPAC name of 3-methylfuran (CID 13587) is 3-methylfuran.
What is the SMILES notation for 3-methylfuran?
The canonical SMILES for 3-methylfuran is Cc1ccoc1.
What is the InChIKey of 3-methylfuran?
The InChIKey is KJRRQXYWFQKJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O/c1-5-2-3-6-4-5/h2-4H,1H3.
What are the key properties of 3-methylfuran?
3-methylfuran has a molecular weight of 82.10 g/mol, XLogP of 1.59, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylfuran is sourced from PubChem (CID 13587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).