6-chloro-3-cyclohexylpyran-2-one

C11H13ClO2 — CID 10774930

IUPAC6-chloro-3-cyclohexylpyran-2-one
SMILESO=c1oc(Cl)ccc1C1CCCCC1
InChIInChI=1S/C11H13ClO2/c12-10-7-6-9(11(13)14-10)8-4-2-1-3-5-8/h6-8H,1-5H2
InChIKeyGIGFHHDBZXKNCX-UHFFFAOYSA-N
MW212.68 g/mol
LogP3.34
Rot. Bonds1

About 6-chloro-3-cyclohexylpyran-2-one

6-chloro-3-cyclohexylpyran-2-one (PubChem CID 10774930) has the molecular formula C11H13ClO2 and a molecular weight of 212.68 g/mol. Its IUPAC name is 6-chloro-3-cyclohexylpyran-2-one.

Molecular Properties

Compound Name6-chloro-3-cyclohexylpyran-2-one
PubChem CID10774930
Molecular FormulaC11H13ClO2
Molecular Weight212.68 g/mol
Exact Mass212.06
IUPAC Name6-chloro-3-cyclohexylpyran-2-one
SMILESO=c1oc(Cl)ccc1C1CCCCC1
InChIInChI=1S/C11H13ClO2/c12-10-7-6-9(11(13)14-10)8-4-2-1-3-5-8/h6-8H,1-5H2
InChIKeyGIGFHHDBZXKNCX-UHFFFAOYSA-N
XLogP3.34
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-Chloro-3-(2-cyclohexyl-ethyl)-pyran-2-one
CID 10198662
6-Chloro-3-cyclopentyl-pyran-2-one
CID 10488207
6-Chloro-3-(3-cyclohexyl-propyl)-pyran-2-one
CID 10729666
6-Chloro-3-(4-cyclohexyl-butyl)-pyran-2-one
CID 10778354
6-Chloro-3-cyclohexylmethyl-pyran-2-one
CID 10823157
6-Chloro-3-(1-ethyl-2-cyclohexyl)-2-pyrone
CID 68776241
3,7-Dimethyl-5,6,7,8-tetrahydroisochromen-1-one
CID 122378222
Methyl 1,5,6,7,8,8a-hexahydro-2-naphthalenecarboxylate
CID 13551732
3-Cyclohexylfuran-2,5-dione
CID 13328970
3-Cyclohexylpyran-2-one
CID 22113977
3-[2-(Bromomethylidene)cyclohexyl]pyran-2-one
CID 67857897
Methyl 6-methyl-3-methylidenecyclohexene-1-carboxylate
CID 123495977

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-cyclohexylpyran-2-one?
The IUPAC name of 6-chloro-3-cyclohexylpyran-2-one (CID 10774930) is 6-chloro-3-cyclohexylpyran-2-one.
What is the SMILES notation for 6-chloro-3-cyclohexylpyran-2-one?
The canonical SMILES for 6-chloro-3-cyclohexylpyran-2-one is O=c1oc(Cl)ccc1C1CCCCC1.
What is the InChIKey of 6-chloro-3-cyclohexylpyran-2-one?
The InChIKey is GIGFHHDBZXKNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO2/c12-10-7-6-9(11(13)14-10)8-4-2-1-3-5-8/h6-8H,1-5H2.
What are the key properties of 6-chloro-3-cyclohexylpyran-2-one?
6-chloro-3-cyclohexylpyran-2-one has a molecular weight of 212.68 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-cyclohexylpyran-2-one is sourced from PubChem (CID 10774930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).