1-benzofuran-2-yl-(4-ethylcyclohexyl)methanone

C17H20O2 — CID 64773771

IUPAC1-benzofuran-2-yl-(4-ethylcyclohexyl)methanone
SMILESCCC1CCC(C(=O)c2cc3ccccc3o2)CC1
InChIInChI=1S/C17H20O2/c1-2-12-7-9-13(10-8-12)17(18)16-11-14-5-3-4-6-15(14)19-16/h3-6,11-13H,2,7-10H2,1H3
InChIKeyOHFYMIRRJDGVFU-UHFFFAOYSA-N
MW256.35 g/mol
LogP4.83
Rot. Bonds3

About 1-benzofuran-2-yl-(4-ethylcyclohexyl)methanone

1-benzofuran-2-yl-(4-ethylcyclohexyl)methanone (PubChem CID 64773771) has the molecular formula C17H20O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-benzofuran-2-yl-(4-ethylcyclohexyl)methanone.

Molecular Properties

Compound Name1-benzofuran-2-yl-(4-ethylcyclohexyl)methanone
PubChem CID64773771
Molecular FormulaC17H20O2
Molecular Weight256.35 g/mol
Exact Mass256.15
IUPAC Name1-benzofuran-2-yl-(4-ethylcyclohexyl)methanone
SMILESCCC1CCC(C(=O)c2cc3ccccc3o2)CC1
InChIInChI=1S/C17H20O2/c1-2-12-7-9-13(10-8-12)17(18)16-11-14-5-3-4-6-15(14)19-16/h3-6,11-13H,2,7-10H2,1H3
InChIKeyOHFYMIRRJDGVFU-UHFFFAOYSA-N
XLogP4.83
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-ethylcyclohexyl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 114725432
1-benzofuran-2-yl(piperidin-4-yl)methanone
CID 82275112
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(1-benzofuran-2-yl)methanone
CID 115807122
[4-(aminomethyl)cyclohexyl]-(5-methyl-1-benzofuran-2-yl)methanone
CID 114737007
1-(1-benzofuran-2-yl)ethanone
CID 15435
[5-(aminomethyl)furan-2-yl]-(4-ethylcyclohexyl)methanone
CID 116590103
1-benzofuran-2-yl-(2-methylcyclopentyl)methanone
CID 107187534
N-(1-benzofuran-2-ylmethyl)-1-(4-ethylcyclohexyl)methanamine
CID 63451959
[4-(aminomethyl)cyclohexyl]-(5-chloro-1-benzofuran-2-yl)methanone
CID 114737009
cyclopropyl-[5-(2-methoxyethyl)-1-benzofuran-2-yl]methanone
CID 65427667
1-(1-benzofuran-2-yl)pentane-1,3-dione
CID 28896262
[4-(aminomethyl)cyclohexyl]-(7-fluoro-1-benzofuran-2-yl)methanone
CID 114737005

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-(4-ethylcyclohexyl)methanone?
The IUPAC name of 1-benzofuran-2-yl-(4-ethylcyclohexyl)methanone (CID 64773771) is 1-benzofuran-2-yl-(4-ethylcyclohexyl)methanone.
What is the SMILES notation for 1-benzofuran-2-yl-(4-ethylcyclohexyl)methanone?
The canonical SMILES for 1-benzofuran-2-yl-(4-ethylcyclohexyl)methanone is CCC1CCC(C(=O)c2cc3ccccc3o2)CC1.
What is the InChIKey of 1-benzofuran-2-yl-(4-ethylcyclohexyl)methanone?
The InChIKey is OHFYMIRRJDGVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2/c1-2-12-7-9-13(10-8-12)17(18)16-11-14-5-3-4-6-15(14)19-16/h3-6,11-13H,2,7-10H2,1H3.
What are the key properties of 1-benzofuran-2-yl-(4-ethylcyclohexyl)methanone?
1-benzofuran-2-yl-(4-ethylcyclohexyl)methanone has a molecular weight of 256.35 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-(4-ethylcyclohexyl)methanone is sourced from PubChem (CID 64773771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).