2-(1-benzofuran-3-yl)cyclohexan-1-one

C14H14O2 — CID 141104591

IUPAC2-(1-benzofuran-3-yl)cyclohexan-1-one
SMILESO=C1CCCCC1c1coc2ccccc12
InChIInChI=1S/C14H14O2/c15-13-7-3-1-5-10(13)12-9-16-14-8-4-2-6-11(12)14/h2,4,6,8-10H,1,3,5,7H2
InChIKeyGAVAHMAGPUIPHK-UHFFFAOYSA-N
MW214.26 g/mol
LogP3.66
Rot. Bonds1

About 2-(1-benzofuran-3-yl)cyclohexan-1-one

2-(1-benzofuran-3-yl)cyclohexan-1-one (PubChem CID 141104591) has the molecular formula C14H14O2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-(1-benzofuran-3-yl)cyclohexan-1-one.

Molecular Properties

Compound Name2-(1-benzofuran-3-yl)cyclohexan-1-one
PubChem CID141104591
Molecular FormulaC14H14O2
Molecular Weight214.26 g/mol
Exact Mass214.10
IUPAC Name2-(1-benzofuran-3-yl)cyclohexan-1-one
SMILESO=C1CCCCC1c1coc2ccccc12
InChIInChI=1S/C14H14O2/c15-13-7-3-1-5-10(13)12-9-16-14-8-4-2-6-11(12)14/h2,4,6,8-10H,1,3,5,7H2
InChIKeyGAVAHMAGPUIPHK-UHFFFAOYSA-N
XLogP3.66
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-3-yl)cyclohexan-1-one?
The IUPAC name of 2-(1-benzofuran-3-yl)cyclohexan-1-one (CID 141104591) is 2-(1-benzofuran-3-yl)cyclohexan-1-one.
What is the SMILES notation for 2-(1-benzofuran-3-yl)cyclohexan-1-one?
The canonical SMILES for 2-(1-benzofuran-3-yl)cyclohexan-1-one is O=C1CCCCC1c1coc2ccccc12.
What is the InChIKey of 2-(1-benzofuran-3-yl)cyclohexan-1-one?
The InChIKey is GAVAHMAGPUIPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2/c15-13-7-3-1-5-10(13)12-9-16-14-8-4-2-6-11(12)14/h2,4,6,8-10H,1,3,5,7H2.
What are the key properties of 2-(1-benzofuran-3-yl)cyclohexan-1-one?
2-(1-benzofuran-3-yl)cyclohexan-1-one has a molecular weight of 214.26 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-3-yl)cyclohexan-1-one is sourced from PubChem (CID 141104591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).