2-cyclohexyl-1-(7-methyl-1-benzofuran-2-yl)ethanone

C17H20O2 — CID 115808413

IUPAC2-cyclohexyl-1-(7-methyl-1-benzofuran-2-yl)ethanone
SMILESCc1cccc2cc(C(=O)CC3CCCCC3)oc12
InChIInChI=1S/C17H20O2/c1-12-6-5-9-14-11-16(19-17(12)14)15(18)10-13-7-3-2-4-8-13/h5-6,9,11,13H,2-4,7-8,10H2,1H3
InChIKeyBXILLLDTVWYROX-UHFFFAOYSA-N
MW256.34 g/mol
LogP4.89
Rot. Bonds3

About 2-cyclohexyl-1-(7-methyl-1-benzofuran-2-yl)ethanone

2-cyclohexyl-1-(7-methyl-1-benzofuran-2-yl)ethanone (PubChem CID 115808413) has the molecular formula C17H20O2 and a molecular weight of 256.34 g/mol. Its IUPAC name is 2-cyclohexyl-1-(7-methyl-1-benzofuran-2-yl)ethanone.

Molecular Properties

Compound Name2-cyclohexyl-1-(7-methyl-1-benzofuran-2-yl)ethanone
PubChem CID115808413
Molecular FormulaC17H20O2
Molecular Weight256.34 g/mol
Exact Mass256.15
IUPAC Name2-cyclohexyl-1-(7-methyl-1-benzofuran-2-yl)ethanone
SMILESCc1cccc2cc(C(=O)CC3CCCCC3)oc12
InChIInChI=1S/C17H20O2/c1-12-6-5-9-14-11-16(19-17(12)14)15(18)10-13-7-3-2-4-8-13/h5-6,9,11,13H,2-4,7-8,10H2,1H3
InChIKeyBXILLLDTVWYROX-UHFFFAOYSA-N
XLogP4.89
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-methyl-1-benzofuran-2-yl)-2-piperidin-4-ylethanone
CID 114736371
2-(azetidin-3-yl)-1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 114736814
2-cycloheptyl-1-(7-fluoro-1-benzofuran-2-yl)ethanone
CID 115809805
1-(7-methyl-1-benzofuran-2-yl)-2-methylsulfanylethanone
CID 114725200
2-[1-(aminomethyl)cyclohexyl]-1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 114737417
2-(4-bromophenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 114724990
3-amino-1-(7-methyl-1-benzofuran-2-yl)butan-1-one
CID 114736309
(1-aminocyclohexyl)-(7-methyl-1-benzofuran-2-yl)methanone
CID 114736196
(2-amino-1-methylcyclopentyl)-(7-methyl-1-benzofuran-2-yl)methanone
CID 114737310
2-cycloheptyl-1-(5-fluoro-1-benzofuran-2-yl)ethanone
CID 115808809
3-ethoxy-1-(7-methyl-1-benzofuran-2-yl)propan-1-one
CID 105132052
[1-(dimethylamino)cyclohexyl]-(7-methyl-1-benzofuran-2-yl)methanone
CID 114725657

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(7-methyl-1-benzofuran-2-yl)ethanone?
The IUPAC name of 2-cyclohexyl-1-(7-methyl-1-benzofuran-2-yl)ethanone (CID 115808413) is 2-cyclohexyl-1-(7-methyl-1-benzofuran-2-yl)ethanone.
What is the SMILES notation for 2-cyclohexyl-1-(7-methyl-1-benzofuran-2-yl)ethanone?
The canonical SMILES for 2-cyclohexyl-1-(7-methyl-1-benzofuran-2-yl)ethanone is Cc1cccc2cc(C(=O)CC3CCCCC3)oc12.
What is the InChIKey of 2-cyclohexyl-1-(7-methyl-1-benzofuran-2-yl)ethanone?
The InChIKey is BXILLLDTVWYROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2/c1-12-6-5-9-14-11-16(19-17(12)14)15(18)10-13-7-3-2-4-8-13/h5-6,9,11,13H,2-4,7-8,10H2,1H3.
What are the key properties of 2-cyclohexyl-1-(7-methyl-1-benzofuran-2-yl)ethanone?
2-cyclohexyl-1-(7-methyl-1-benzofuran-2-yl)ethanone has a molecular weight of 256.34 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(7-methyl-1-benzofuran-2-yl)ethanone is sourced from PubChem (CID 115808413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).