2-(1-chloroethyl)-5-methylfuran

C7H9ClO — CID 24688421

IUPAC2-(1-chloroethyl)-5-methylfuran
SMILESCc1ccc(C(C)Cl)o1
InChIInChI=1S/C7H9ClO/c1-5-3-4-7(9-5)6(2)8/h3-4,6H,1-2H3
InChIKeyICSINTJRLBDYIY-UHFFFAOYSA-N
MW144.60 g/mol
LogP2.89
Rot. Bonds1

About 2-(1-chloroethyl)-5-methylfuran

2-(1-chloroethyl)-5-methylfuran (PubChem CID 24688421) has the molecular formula C7H9ClO and a molecular weight of 144.60 g/mol. Its IUPAC name is 2-(1-chloroethyl)-5-methylfuran.

Molecular Properties

Compound Name2-(1-chloroethyl)-5-methylfuran
PubChem CID24688421
Molecular FormulaC7H9ClO
Molecular Weight144.60 g/mol
Exact Mass144.03
IUPAC Name2-(1-chloroethyl)-5-methylfuran
SMILESCc1ccc(C(C)Cl)o1
InChIInChI=1S/C7H9ClO/c1-5-3-4-7(9-5)6(2)8/h3-4,6H,1-2H3
InChIKeyICSINTJRLBDYIY-UHFFFAOYSA-N
XLogP2.89
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.60
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2,5-Dimethylfuran
CID 12266
2-Ethylfuran
CID 18554
2-Ethyl-5-methylfuran
CID 74346
2-Propylfuran
CID 77907
5-Chloromethylfurfural
CID 74191
2-Ethenyl-5-methylfuran
CID 3014647
4-(5-Methylfuran-2-yl)but-3-en-2-one
CID 6075631
2-Methyl-5-propylfuran
CID 5191689
5-Methylfuran-2-carbonyl chloride
CID 2759851
2-Chloro-1-(furan-2-yl)ethan-1-one
CID 14909778
2-(Chloromethyl)furan
CID 219520
2,5-Diethylfuran
CID 6428556

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-5-methylfuran?
The IUPAC name of 2-(1-chloroethyl)-5-methylfuran (CID 24688421) is 2-(1-chloroethyl)-5-methylfuran.
What is the SMILES notation for 2-(1-chloroethyl)-5-methylfuran?
The canonical SMILES for 2-(1-chloroethyl)-5-methylfuran is Cc1ccc(C(C)Cl)o1.
What is the InChIKey of 2-(1-chloroethyl)-5-methylfuran?
The InChIKey is ICSINTJRLBDYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClO/c1-5-3-4-7(9-5)6(2)8/h3-4,6H,1-2H3.
What are the key properties of 2-(1-chloroethyl)-5-methylfuran?
2-(1-chloroethyl)-5-methylfuran has a molecular weight of 144.60 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-5-methylfuran is sourced from PubChem (CID 24688421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).