(2R)-3-chloro-2,4-dimethyl-2H-furan-5-one

C6H7ClO2 — CID 122546392

IUPAC(2R)-3-chloro-2,4-dimethyl-2H-furan-5-one
SMILESCC1=C(Cl)[C@@H](C)OC1=O
InChIInChI=1S/C6H7ClO2/c1-3-5(7)4(2)9-6(3)8/h4H,1-2H3/t4-/m1/s1
InChIKeyABOCGDVEDLMTBC-SCSAIBSYSA-N
MW146.57 g/mol
LogP1.44
Rot. Bonds

About (2R)-3-chloro-2,4-dimethyl-2H-furan-5-one

(2R)-3-chloro-2,4-dimethyl-2H-furan-5-one (PubChem CID 122546392) has the molecular formula C6H7ClO2 and a molecular weight of 146.57 g/mol. Its IUPAC name is (2R)-3-chloro-2,4-dimethyl-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-3-chloro-2,4-dimethyl-2H-furan-5-one
PubChem CID122546392
Molecular FormulaC6H7ClO2
Molecular Weight146.57 g/mol
Exact Mass146.01
IUPAC Name(2R)-3-chloro-2,4-dimethyl-2H-furan-5-one
SMILESCC1=C(Cl)[C@@H](C)OC1=O
InChIInChI=1S/C6H7ClO2/c1-3-5(7)4(2)9-6(3)8/h4H,1-2H3/t4-/m1/s1
InChIKeyABOCGDVEDLMTBC-SCSAIBSYSA-N
XLogP1.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.57
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-4-methyl-2-phenyl-2H-furan-5-one
CID 10560334
2,4-dimethyl-3-(2-methylprop-1-enyl)-2H-furan-5-one
CID 20820548
(3R)-5-chloro-3-methyl-3H-2-benzofuran-1-one
CID 168984484
2,4,5-trimethyl-2,3-dihydropyran-6-one
CID 18538217
4-(2-chlorophenyl)-2,3-dimethyl-2H-furan-5-one
CID 142708549
6-methyl-1,4-dioxane-2,3,5-trione
CID 87163287
3,4-dihydroxy-2-methyl-2H-furan-5-one
CID 54676244
3,6-dimethyl-1,4-dioxane-2,5-dione
CID 7272
3,6-dimethyl-1,4-dioxane-2,5-dione;(3S,6S)-3,6-dimethyl-1,4-dioxane-2,5-dione
CID 156591924
(3S,6S,9S,12S,15S,18S,21S)-3,6,9,12,15,18,21-heptamethyl-1,4,7,10,13,16,19-heptaoxacyclohenicosane-2,5,8,11,14,17,20-heptone
CID 101423086
3,6-dimethyl-1,4-dioxane-2,5-dione;(3S,6S)-3,6-dimethyl-1,4-dioxane-2,5-dione;(3R,6S)-3,6-dimethyl-1,4-dioxane-2,5-dione;(3R,6R)-3,6-dimethyl-1,4-dioxane-2,5-dione
CID 163835572
CID 172764488
CID 172764488

Frequently Asked Questions

What is the IUPAC name of (2R)-3-chloro-2,4-dimethyl-2H-furan-5-one?
The IUPAC name of (2R)-3-chloro-2,4-dimethyl-2H-furan-5-one (CID 122546392) is (2R)-3-chloro-2,4-dimethyl-2H-furan-5-one.
What is the SMILES notation for (2R)-3-chloro-2,4-dimethyl-2H-furan-5-one?
The canonical SMILES for (2R)-3-chloro-2,4-dimethyl-2H-furan-5-one is CC1=C(Cl)[C@@H](C)OC1=O.
What is the InChIKey of (2R)-3-chloro-2,4-dimethyl-2H-furan-5-one?
The InChIKey is ABOCGDVEDLMTBC-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H7ClO2/c1-3-5(7)4(2)9-6(3)8/h4H,1-2H3/t4-/m1/s1.
What are the key properties of (2R)-3-chloro-2,4-dimethyl-2H-furan-5-one?
(2R)-3-chloro-2,4-dimethyl-2H-furan-5-one has a molecular weight of 146.57 g/mol, XLogP of 1.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-chloro-2,4-dimethyl-2H-furan-5-one is sourced from PubChem (CID 122546392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).