2-(2,3-dihydro-1-benzofuran-6-yl)cyclohex-2-en-1-one

C14H14O2 — CID 172782601

IUPAC2-(2,3-dihydro-1-benzofuran-6-yl)cyclohex-2-en-1-one
SMILESO=C1CCCC=C1c1ccc2c(c1)OCC2
InChIInChI=1S/C14H14O2/c15-13-4-2-1-3-12(13)11-6-5-10-7-8-16-14(10)9-11/h3,5-6,9H,1-2,4,7-8H2
InChIKeyOLPSPNMGQKJYAN-UHFFFAOYSA-N
MW214.26 g/mol
LogP2.76
Rot. Bonds1

About 2-(2,3-dihydro-1-benzofuran-6-yl)cyclohex-2-en-1-one

2-(2,3-dihydro-1-benzofuran-6-yl)cyclohex-2-en-1-one (PubChem CID 172782601) has the molecular formula C14H14O2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-6-yl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-6-yl)cyclohex-2-en-1-one
PubChem CID172782601
Molecular FormulaC14H14O2
Molecular Weight214.26 g/mol
Exact Mass214.10
IUPAC Name2-(2,3-dihydro-1-benzofuran-6-yl)cyclohex-2-en-1-one
SMILESO=C1CCCC=C1c1ccc2c(c1)OCC2
InChIInChI=1S/C14H14O2/c15-13-4-2-1-3-12(13)11-6-5-10-7-8-16-14(10)9-11/h3,5-6,9H,1-2,4,7-8H2
InChIKeyOLPSPNMGQKJYAN-UHFFFAOYSA-N
XLogP2.76
TPSA26.30 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 ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2,3-dihydro-1-benzofuran-6-yl)cyclohex-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-6-yl)cyclohex-2-en-1-one?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-6-yl)cyclohex-2-en-1-one (CID 172782601) is 2-(2,3-dihydro-1-benzofuran-6-yl)cyclohex-2-en-1-one.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-6-yl)cyclohex-2-en-1-one?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-6-yl)cyclohex-2-en-1-one is O=C1CCCC=C1c1ccc2c(c1)OCC2.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-6-yl)cyclohex-2-en-1-one?
The InChIKey is OLPSPNMGQKJYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2/c15-13-4-2-1-3-12(13)11-6-5-10-7-8-16-14(10)9-11/h3,5-6,9H,1-2,4,7-8H2.
What are the key properties of 2-(2,3-dihydro-1-benzofuran-6-yl)cyclohex-2-en-1-one?
2-(2,3-dihydro-1-benzofuran-6-yl)cyclohex-2-en-1-one has a molecular weight of 214.26 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-6-yl)cyclohex-2-en-1-one is sourced from PubChem (CID 172782601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).