2-(1-benzofuran-2-yl)cyclohex-2-en-1-one

C14H12O2 — CID 11572033

IUPAC2-(1-benzofuran-2-yl)cyclohex-2-en-1-one
SMILESO=C1CCCC=C1c1cc2ccccc2o1
InChIInChI=1S/C14H12O2/c15-12-7-3-2-6-11(12)14-9-10-5-1-4-8-13(10)16-14/h1,4-6,8-9H,2-3,7H2
InChIKeyTWVGVGGAZQHPCP-UHFFFAOYSA-N
MW212.25 g/mol
LogP3.57
Rot. Bonds1

About 2-(1-benzofuran-2-yl)cyclohex-2-en-1-one

2-(1-benzofuran-2-yl)cyclohex-2-en-1-one (PubChem CID 11572033) has the molecular formula C14H12O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)cyclohex-2-en-1-one
PubChem CID11572033
Molecular FormulaC14H12O2
Molecular Weight212.25 g/mol
Exact Mass212.08
IUPAC Name2-(1-benzofuran-2-yl)cyclohex-2-en-1-one
SMILESO=C1CCCC=C1c1cc2ccccc2o1
InChIInChI=1S/C14H12O2/c15-12-7-3-2-6-11(12)14-9-10-5-1-4-8-13(10)16-14/h1,4-6,8-9H,2-3,7H2
InChIKeyTWVGVGGAZQHPCP-UHFFFAOYSA-N
XLogP3.57
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)cyclohex-2-en-1-one?
The IUPAC name of 2-(1-benzofuran-2-yl)cyclohex-2-en-1-one (CID 11572033) is 2-(1-benzofuran-2-yl)cyclohex-2-en-1-one.
What is the SMILES notation for 2-(1-benzofuran-2-yl)cyclohex-2-en-1-one?
The canonical SMILES for 2-(1-benzofuran-2-yl)cyclohex-2-en-1-one is O=C1CCCC=C1c1cc2ccccc2o1.
What is the InChIKey of 2-(1-benzofuran-2-yl)cyclohex-2-en-1-one?
The InChIKey is TWVGVGGAZQHPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2/c15-12-7-3-2-6-11(12)14-9-10-5-1-4-8-13(10)16-14/h1,4-6,8-9H,2-3,7H2.
What are the key properties of 2-(1-benzofuran-2-yl)cyclohex-2-en-1-one?
2-(1-benzofuran-2-yl)cyclohex-2-en-1-one has a molecular weight of 212.25 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)cyclohex-2-en-1-one is sourced from PubChem (CID 11572033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).