4-butyl-3-chloro-2-methyl-2H-furan-5-one

C9H13ClO2 — CID 11344473

IUPAC4-butyl-3-chloro-2-methyl-2H-furan-5-one
SMILESCCCCC1=C(Cl)C(C)OC1=O
InChIInChI=1S/C9H13ClO2/c1-3-4-5-7-8(10)6(2)12-9(7)11/h6H,3-5H2,1-2H3
InChIKeyFNWJZJWSOZRJRW-UHFFFAOYSA-N
MW188.65 g/mol
LogP2.61
Rot. Bonds3

About 4-butyl-3-chloro-2-methyl-2H-furan-5-one

4-butyl-3-chloro-2-methyl-2H-furan-5-one (PubChem CID 11344473) has the molecular formula C9H13ClO2 and a molecular weight of 188.65 g/mol. Its IUPAC name is 4-butyl-3-chloro-2-methyl-2H-furan-5-one.

Molecular Properties

Compound Name4-butyl-3-chloro-2-methyl-2H-furan-5-one
PubChem CID11344473
Molecular FormulaC9H13ClO2
Molecular Weight188.65 g/mol
Exact Mass188.06
IUPAC Name4-butyl-3-chloro-2-methyl-2H-furan-5-one
SMILESCCCCC1=C(Cl)C(C)OC1=O
InChIInChI=1S/C9H13ClO2/c1-3-4-5-7-8(10)6(2)12-9(7)11/h6H,3-5H2,1-2H3
InChIKeyFNWJZJWSOZRJRW-UHFFFAOYSA-N
XLogP2.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.65
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-butyl-3-chloro-2-methyl-2H-furan-5-one with MolForge

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

Launch Full Analysis

Related Compounds

3-Butyl-4-methyl-furan-2(5h)-one
CID 14616858
(2R)-4-butyl-2-methyl-2H-furan-5-one
CID 13548531
3-butyl-5-methyl-2(5H)-furanone
CID 13548530
(2S)-4-butyl-2-methyl-2H-furan-5-one
CID 11105576
InChI=1/C9H14O3/c1-3-12-9(10)7-5-4-6-8(7)11-2/h3-6H2,1-2H
CID 13205386
Methyl 2-ethoxycyclopent-1-ene-1-carboxylate
CID 12586399
Sodium 2-ethoxycarbonylcyclopenten-1-olate
CID 23678022
1-Cyclopentene-1-carboxylic acid, 2-chloro-, methyl ester
CID 11194493
Ethyl 2-chlorocyclopentene-1-carboxylate
CID 14902751
1-O-butyl 4-O-chloro (E)-2-butyl-3-chlorobut-2-enedioate
CID 18454953
Propan-2-yl cyclopent-1-ene-1-carboxylate
CID 45090158
(2R)-3-chloro-4-methyl-2-pentyl-2H-furan-5-one
CID 68176246

Frequently Asked Questions

What is the IUPAC name of 4-butyl-3-chloro-2-methyl-2H-furan-5-one?
The IUPAC name of 4-butyl-3-chloro-2-methyl-2H-furan-5-one (CID 11344473) is 4-butyl-3-chloro-2-methyl-2H-furan-5-one.
What is the SMILES notation for 4-butyl-3-chloro-2-methyl-2H-furan-5-one?
The canonical SMILES for 4-butyl-3-chloro-2-methyl-2H-furan-5-one is CCCCC1=C(Cl)C(C)OC1=O.
What is the InChIKey of 4-butyl-3-chloro-2-methyl-2H-furan-5-one?
The InChIKey is FNWJZJWSOZRJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClO2/c1-3-4-5-7-8(10)6(2)12-9(7)11/h6H,3-5H2,1-2H3.
What are the key properties of 4-butyl-3-chloro-2-methyl-2H-furan-5-one?
4-butyl-3-chloro-2-methyl-2H-furan-5-one has a molecular weight of 188.65 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-3-chloro-2-methyl-2H-furan-5-one is sourced from PubChem (CID 11344473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).