(2-chlorofuran-3-yl)-cyclohexylmethanone

C11H13ClO2 — CID 106690833

IUPAC(2-chlorofuran-3-yl)-cyclohexylmethanone
SMILESO=C(c1ccoc1Cl)C1CCCCC1
InChIInChI=1S/C11H13ClO2/c12-11-9(6-7-14-11)10(13)8-4-2-1-3-5-8/h6-8H,1-5H2
InChIKeyVRCGUIKXGLUGQV-UHFFFAOYSA-N
MW212.68 g/mol
LogP3.70
Rot. Bonds2

About (2-chlorofuran-3-yl)-cyclohexylmethanone

(2-chlorofuran-3-yl)-cyclohexylmethanone (PubChem CID 106690833) has the molecular formula C11H13ClO2 and a molecular weight of 212.68 g/mol. Its IUPAC name is (2-chlorofuran-3-yl)-cyclohexylmethanone.

Molecular Properties

Compound Name(2-chlorofuran-3-yl)-cyclohexylmethanone
PubChem CID106690833
Molecular FormulaC11H13ClO2
Molecular Weight212.68 g/mol
Exact Mass212.06
IUPAC Name(2-chlorofuran-3-yl)-cyclohexylmethanone
SMILESO=C(c1ccoc1Cl)C1CCCCC1
InChIInChI=1S/C11H13ClO2/c12-11-9(6-7-14-11)10(13)8-4-2-1-3-5-8/h6-8H,1-5H2
InChIKeyVRCGUIKXGLUGQV-UHFFFAOYSA-N
XLogP3.70
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 68381
Ipomeanine
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Myomontanone
CID 101519
Myoporone
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(4R)-1-(furan-3-yl)-4,8-dimethylnonane-1,6-dione
CID 11010382
1-(Furan-3-yl)-4,8-dimethylnonane-1,6-dione
CID 12313048
(4S)-1-(furan-3-yl)-4,8-dimethylnon-7-ene-1,6-dione
CID 13969248
Isomyomontanone
CID 13969256
1-(Furan-3-yl)-4,8-dimethylnona-4,7-diene-1,6-dione
CID 71329015
4,7-Nonadiene-1,6-dione, 1-(3-furanyl)-4,8-dimethyl-, (Z)-
CID 91982685
2-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-1-(furan-3-yl)ethanone
CID 101256337
(E)-1,6-Dioxo-isodendrolasin
CID 163203596

Frequently Asked Questions

What is the IUPAC name of (2-chlorofuran-3-yl)-cyclohexylmethanone?
The IUPAC name of (2-chlorofuran-3-yl)-cyclohexylmethanone (CID 106690833) is (2-chlorofuran-3-yl)-cyclohexylmethanone.
What is the SMILES notation for (2-chlorofuran-3-yl)-cyclohexylmethanone?
The canonical SMILES for (2-chlorofuran-3-yl)-cyclohexylmethanone is O=C(c1ccoc1Cl)C1CCCCC1.
What is the InChIKey of (2-chlorofuran-3-yl)-cyclohexylmethanone?
The InChIKey is VRCGUIKXGLUGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO2/c12-11-9(6-7-14-11)10(13)8-4-2-1-3-5-8/h6-8H,1-5H2.
What are the key properties of (2-chlorofuran-3-yl)-cyclohexylmethanone?
(2-chlorofuran-3-yl)-cyclohexylmethanone has a molecular weight of 212.68 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorofuran-3-yl)-cyclohexylmethanone is sourced from PubChem (CID 106690833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).