4-chloro-2-ethyl-3-propyl-2H-furan-5-one

C9H13ClO2 — CID 14866648

IUPAC4-chloro-2-ethyl-3-propyl-2H-furan-5-one
SMILESCCCC1=C(Cl)C(=O)OC1CC
InChIInChI=1S/C9H13ClO2/c1-3-5-6-7(4-2)12-9(11)8(6)10/h7H,3-5H2,1-2H3
InChIKeySYDWBOQPHGFTNM-UHFFFAOYSA-N
MW188.65 g/mol
LogP2.61
Rot. Bonds3

About 4-chloro-2-ethyl-3-propyl-2H-furan-5-one

4-chloro-2-ethyl-3-propyl-2H-furan-5-one (PubChem CID 14866648) has the molecular formula C9H13ClO2 and a molecular weight of 188.65 g/mol. Its IUPAC name is 4-chloro-2-ethyl-3-propyl-2H-furan-5-one.

Molecular Properties

Compound Name4-chloro-2-ethyl-3-propyl-2H-furan-5-one
PubChem CID14866648
Molecular FormulaC9H13ClO2
Molecular Weight188.65 g/mol
Exact Mass188.06
IUPAC Name4-chloro-2-ethyl-3-propyl-2H-furan-5-one
SMILESCCCC1=C(Cl)C(=O)OC1CC
InChIInChI=1S/C9H13ClO2/c1-3-5-6-7(4-2)12-9(11)8(6)10/h7H,3-5H2,1-2H3
InChIKeySYDWBOQPHGFTNM-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-chloro-2-ethyl-3-propyl-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

(1S)-2,3-Dimethylcyclopent-2-en-1-yl acetate
CID 162420339
(1R)-2,3-Dimethylcyclopent-2-en-1-yl acetate
CID 162420340
2-butyl-3,4-dimethyl-2H-furan-5-one
CID 67873447
(2R)-4-chloro-3-methyl-2-(2-methylpropyl)-2H-furan-5-one
CID 134855738
2-butyl-3,4-dichloro-2H-furan-5-one
CID 155934790
2-butyl-3-methyl-2H-furan-5-one
CID 11789425
(2R)-3-chloro-4-methyl-2-pentyl-2H-furan-5-one
CID 68176246
4-butyl-3-chloro-2-pentyl-2H-furan-5-one
CID 11149239
(2S)-3-chloro-2-hexyl-4-methyl-2H-furan-5-one
CID 11183540
4-butyl-3-chloro-2-methyl-2H-furan-5-one
CID 11344473
2-butyl-3-chloro-4-propyl-2H-furan-5-one
CID 11356381
Ethyl 2-chloro-2-cyclohexylideneacetate
CID 12521992

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethyl-3-propyl-2H-furan-5-one?
The IUPAC name of 4-chloro-2-ethyl-3-propyl-2H-furan-5-one (CID 14866648) is 4-chloro-2-ethyl-3-propyl-2H-furan-5-one.
What is the SMILES notation for 4-chloro-2-ethyl-3-propyl-2H-furan-5-one?
The canonical SMILES for 4-chloro-2-ethyl-3-propyl-2H-furan-5-one is CCCC1=C(Cl)C(=O)OC1CC.
What is the InChIKey of 4-chloro-2-ethyl-3-propyl-2H-furan-5-one?
The InChIKey is SYDWBOQPHGFTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClO2/c1-3-5-6-7(4-2)12-9(11)8(6)10/h7H,3-5H2,1-2H3.
What are the key properties of 4-chloro-2-ethyl-3-propyl-2H-furan-5-one?
4-chloro-2-ethyl-3-propyl-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-chloro-2-ethyl-3-propyl-2H-furan-5-one is sourced from PubChem (CID 14866648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).