cyclohexyloxybenzene;methanol;piperidine-2,6-dione

C18H27NO4 — CID 172630786

IUPACcyclohexyloxybenzene;methanol;piperidine-2,6-dione
SMILESCO.O=C1CCCC(=O)N1.c1ccc(OC2CCCCC2)cc1
InChIInChI=1S/C12H16O.C5H7NO2.CH4O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;7-4-2-1-3-5(8)6-4;1-2/h1,3-4,7-8,12H,2,5-6,9-10H2;1-3H2,(H,6,7,8);2H,1H3
InChIKeyZOFBWIKFADQYIG-UHFFFAOYSA-N
MW321.42 g/mol
LogP2.82
Rot. Bonds2

About cyclohexyloxybenzene;methanol;piperidine-2,6-dione

cyclohexyloxybenzene;methanol;piperidine-2,6-dione (PubChem CID 172630786) has the molecular formula C18H27NO4 and a molecular weight of 321.42 g/mol. Its IUPAC name is cyclohexyloxybenzene;methanol;piperidine-2,6-dione.

Molecular Properties

Compound Namecyclohexyloxybenzene;methanol;piperidine-2,6-dione
PubChem CID172630786
Molecular FormulaC18H27NO4
Molecular Weight321.42 g/mol
Exact Mass321.19
IUPAC Namecyclohexyloxybenzene;methanol;piperidine-2,6-dione
SMILESCO.O=C1CCCC(=O)N1.c1ccc(OC2CCCCC2)cc1
InChIInChI=1S/C12H16O.C5H7NO2.CH4O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;7-4-2-1-3-5(8)6-4;1-2/h1,3-4,7-8,12H,2,5-6,9-10H2;1-3H2,(H,6,7,8);2H,1H3
InChIKeyZOFBWIKFADQYIG-UHFFFAOYSA-N
XLogP2.82
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

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CID 174438663
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1-cyclohexyloxy-4-phenoxybenzene
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7-cycloheptyloxy-3,4-dihydro-1H-quinolin-2-one
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3-phenoxycyclohexan-1-ol
CID 79617811
4-cycloheptyloxybenzamide
CID 141109251
4-cycloheptyloxyphenol
CID 67178425
cyclopentyl hydrogen carbonate;pyrrolidine-2,5-dione
CID 68845454
N-methyl-3-phenoxycyclohexan-1-amine
CID 79618884
1-(3-cyclohexyloxyphenyl)ethanone
CID 43208744
4-phenoxyazetidin-2-one
CID 14054149
benzenesulfonic acid;piperidine-2,6-dione
CID 87079536

Frequently Asked Questions

What is the IUPAC name of cyclohexyloxybenzene;methanol;piperidine-2,6-dione?
The IUPAC name of cyclohexyloxybenzene;methanol;piperidine-2,6-dione (CID 172630786) is cyclohexyloxybenzene;methanol;piperidine-2,6-dione.
What is the SMILES notation for cyclohexyloxybenzene;methanol;piperidine-2,6-dione?
The canonical SMILES for cyclohexyloxybenzene;methanol;piperidine-2,6-dione is CO.O=C1CCCC(=O)N1.c1ccc(OC2CCCCC2)cc1.
What is the InChIKey of cyclohexyloxybenzene;methanol;piperidine-2,6-dione?
The InChIKey is ZOFBWIKFADQYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O.C5H7NO2.CH4O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;7-4-2-1-3-5(8)6-4;1-2/h1,3-4,7-8,12H,2,5-6,9-10H2;1-3H2,(H,6,7,8);2H,1H3.
What are the key properties of cyclohexyloxybenzene;methanol;piperidine-2,6-dione?
cyclohexyloxybenzene;methanol;piperidine-2,6-dione has a molecular weight of 321.42 g/mol, XLogP of 2.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyloxybenzene;methanol;piperidine-2,6-dione is sourced from PubChem (CID 172630786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).