2-cyclohexyloxy-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one

C14H20O3 — CID 20534722

IUPAC2-cyclohexyloxy-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one
SMILESO=C1CCCC2=C1CC(OC1CCCCC1)O2
InChIInChI=1S/C14H20O3/c15-12-7-4-8-13-11(12)9-14(17-13)16-10-5-2-1-3-6-10/h10,14H,1-9H2
InChIKeyFECOOZCNYUNKFA-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.09
Rot. Bonds2

About 2-cyclohexyloxy-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one

2-cyclohexyloxy-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one (PubChem CID 20534722) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-cyclohexyloxy-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one.

Molecular Properties

Compound Name2-cyclohexyloxy-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one
PubChem CID20534722
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name2-cyclohexyloxy-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one
SMILESO=C1CCCC2=C1CC(OC1CCCCC1)O2
InChIInChI=1S/C14H20O3/c15-12-7-4-8-13-11(12)9-14(17-13)16-10-5-2-1-3-6-10/h10,14H,1-9H2
InChIKeyFECOOZCNYUNKFA-UHFFFAOYSA-N
XLogP3.09
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyloxy-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one?
The IUPAC name of 2-cyclohexyloxy-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one (CID 20534722) is 2-cyclohexyloxy-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one.
What is the SMILES notation for 2-cyclohexyloxy-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one?
The canonical SMILES for 2-cyclohexyloxy-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one is O=C1CCCC2=C1CC(OC1CCCCC1)O2.
What is the InChIKey of 2-cyclohexyloxy-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one?
The InChIKey is FECOOZCNYUNKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c15-12-7-4-8-13-11(12)9-14(17-13)16-10-5-2-1-3-6-10/h10,14H,1-9H2.
What are the key properties of 2-cyclohexyloxy-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one?
2-cyclohexyloxy-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one has a molecular weight of 236.31 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyloxy-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one is sourced from PubChem (CID 20534722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).