3-chloro-2-cyclohexyl-2H-furan-5-one

C10H13ClO2 — CID 10726733

IUPAC3-chloro-2-cyclohexyl-2H-furan-5-one
SMILESO=C1C=C(Cl)C(C2CCCCC2)O1
InChIInChI=1S/C10H13ClO2/c11-8-6-9(12)13-10(8)7-4-2-1-3-5-7/h6-7,10H,1-5H2
InChIKeyLGXHQBQKVUTSLD-UHFFFAOYSA-N
MW200.66 g/mol
LogP2.61
Rot. Bonds1

About 3-chloro-2-cyclohexyl-2H-furan-5-one

3-chloro-2-cyclohexyl-2H-furan-5-one (PubChem CID 10726733) has the molecular formula C10H13ClO2 and a molecular weight of 200.66 g/mol. Its IUPAC name is 3-chloro-2-cyclohexyl-2H-furan-5-one.

Molecular Properties

Compound Name3-chloro-2-cyclohexyl-2H-furan-5-one
PubChem CID10726733
Molecular FormulaC10H13ClO2
Molecular Weight200.66 g/mol
Exact Mass200.06
IUPAC Name3-chloro-2-cyclohexyl-2H-furan-5-one
SMILESO=C1C=C(Cl)C(C2CCCCC2)O1
InChIInChI=1S/C10H13ClO2/c11-8-6-9(12)13-10(8)7-4-2-1-3-5-7/h6-7,10H,1-5H2
InChIKeyLGXHQBQKVUTSLD-UHFFFAOYSA-N
XLogP2.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.66
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexyl-2H-furan-5-one
CID 10986612
(2S)-2-cyclohexyl-2H-furan-5-one
CID 11805125
3-chloro-2-heptyl-2H-furan-5-one
CID 10798785
2(5H)-Furanone, 5-cyclohexyl-4-methyl-
CID 11217593
4-butyl-3-chloro-2-cyclohexyl-2H-furan-5-one
CID 11253885
4-Chloro-1-oxaspiro[4.5]dec-3-en-2-one
CID 12321050
4-(chloromethyl)-2-cyclohexyl-2H-furan-5-one
CID 25139117
(2R)-2-cyclohexyl-2H-furan-5-one
CID 92982751
3-(cyclohexylmethyl)-2-methyl-2H-furan-5-one
CID 121011462
3-cyclohexyl-2-methyl-2H-furan-5-one
CID 121218092

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-cyclohexyl-2H-furan-5-one?
The IUPAC name of 3-chloro-2-cyclohexyl-2H-furan-5-one (CID 10726733) is 3-chloro-2-cyclohexyl-2H-furan-5-one.
What is the SMILES notation for 3-chloro-2-cyclohexyl-2H-furan-5-one?
The canonical SMILES for 3-chloro-2-cyclohexyl-2H-furan-5-one is O=C1C=C(Cl)C(C2CCCCC2)O1.
What is the InChIKey of 3-chloro-2-cyclohexyl-2H-furan-5-one?
The InChIKey is LGXHQBQKVUTSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO2/c11-8-6-9(12)13-10(8)7-4-2-1-3-5-7/h6-7,10H,1-5H2.
What are the key properties of 3-chloro-2-cyclohexyl-2H-furan-5-one?
3-chloro-2-cyclohexyl-2H-furan-5-one has a molecular weight of 200.66 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-cyclohexyl-2H-furan-5-one is sourced from PubChem (CID 10726733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).