2-chloro-3-methylfuran

C5H5ClO — CID 23591437

IUPAC2-chloro-3-methylfuran
SMILESCc1ccoc1Cl
InChIInChI=1S/C5H5ClO/c1-4-2-3-7-5(4)6/h2-3H,1H3
InChIKeyCLMFGFOVKMSOOI-UHFFFAOYSA-N
MW116.55 g/mol
LogP2.24
Rot. Bonds

About 2-chloro-3-methylfuran

2-chloro-3-methylfuran (PubChem CID 23591437) has the molecular formula C5H5ClO and a molecular weight of 116.55 g/mol. Its IUPAC name is 2-chloro-3-methylfuran.

Molecular Properties

Compound Name2-chloro-3-methylfuran
PubChem CID23591437
Molecular FormulaC5H5ClO
Molecular Weight116.55 g/mol
Exact Mass116.00
IUPAC Name2-chloro-3-methylfuran
SMILESCc1ccoc1Cl
InChIInChI=1S/C5H5ClO/c1-4-2-3-7-5(4)6/h2-3H,1H3
InChIKeyCLMFGFOVKMSOOI-UHFFFAOYSA-N
XLogP2.24
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.55
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-chloro-3-methylfuran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-methylfuran?
The IUPAC name of 2-chloro-3-methylfuran (CID 23591437) is 2-chloro-3-methylfuran.
What is the SMILES notation for 2-chloro-3-methylfuran?
The canonical SMILES for 2-chloro-3-methylfuran is Cc1ccoc1Cl.
What is the InChIKey of 2-chloro-3-methylfuran?
The InChIKey is CLMFGFOVKMSOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClO/c1-4-2-3-7-5(4)6/h2-3H,1H3.
What are the key properties of 2-chloro-3-methylfuran?
2-chloro-3-methylfuran has a molecular weight of 116.55 g/mol, XLogP of 2.24, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-methylfuran is sourced from PubChem (CID 23591437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).