(4-ethylcyclohexyl)-(5-methyl-1-benzofuran-2-yl)methanone

C18H22O2 — CID 114725432

IUPAC(4-ethylcyclohexyl)-(5-methyl-1-benzofuran-2-yl)methanone
SMILESCCC1CCC(C(=O)c2cc3cc(C)ccc3o2)CC1
InChIInChI=1S/C18H22O2/c1-3-13-5-7-14(8-6-13)18(19)17-11-15-10-12(2)4-9-16(15)20-17/h4,9-11,13-14H,3,5-8H2,1-2H3
InChIKeyXGGSJRFKXOAUDJ-UHFFFAOYSA-N
MW270.37 g/mol
LogP5.14
Rot. Bonds3

About (4-ethylcyclohexyl)-(5-methyl-1-benzofuran-2-yl)methanone

(4-ethylcyclohexyl)-(5-methyl-1-benzofuran-2-yl)methanone (PubChem CID 114725432) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is (4-ethylcyclohexyl)-(5-methyl-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name(4-ethylcyclohexyl)-(5-methyl-1-benzofuran-2-yl)methanone
PubChem CID114725432
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name(4-ethylcyclohexyl)-(5-methyl-1-benzofuran-2-yl)methanone
SMILESCCC1CCC(C(=O)c2cc3cc(C)ccc3o2)CC1
InChIInChI=1S/C18H22O2/c1-3-13-5-7-14(8-6-13)18(19)17-11-15-10-12(2)4-9-16(15)20-17/h4,9-11,13-14H,3,5-8H2,1-2H3
InChIKeyXGGSJRFKXOAUDJ-UHFFFAOYSA-N
XLogP5.14
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.37
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(aminomethyl)cyclohexyl]-(5-methyl-1-benzofuran-2-yl)methanone
CID 114737007
1-benzofuran-2-yl-(4-ethylcyclohexyl)methanone
CID 64773771
azetidin-3-yl-(5-methyl-1-benzofuran-2-yl)methanone
CID 114736841
(3,5-dimethylcyclohexyl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 105105126
[4-(aminomethyl)cyclohexyl]-(5-chloro-1-benzofuran-2-yl)methanone
CID 114737009
1-(5-methyl-1-benzofuran-2-yl)ethanone
CID 15549614
[2-(aminomethyl)cyclohexyl]-(5-methyl-1-benzofuran-2-yl)methanone
CID 114736859
cyclopropyl-[5-(2-methoxyethyl)-1-benzofuran-2-yl]methanone
CID 65427667
[(4-ethylcyclohexyl)-(5-methyl-1-benzofuran-2-yl)methyl]hydrazine
CID 105231380
(1,4-dimethylpiperazin-2-yl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 114725716
N-cyclopentyl-5-methyl-1-benzofuran-2-carboxamide
CID 17015654
(5-chloro-1-benzofuran-2-yl)-(4-propan-2-ylcyclohexyl)methanone
CID 114725457

Frequently Asked Questions

What is the IUPAC name of (4-ethylcyclohexyl)-(5-methyl-1-benzofuran-2-yl)methanone?
The IUPAC name of (4-ethylcyclohexyl)-(5-methyl-1-benzofuran-2-yl)methanone (CID 114725432) is (4-ethylcyclohexyl)-(5-methyl-1-benzofuran-2-yl)methanone.
What is the SMILES notation for (4-ethylcyclohexyl)-(5-methyl-1-benzofuran-2-yl)methanone?
The canonical SMILES for (4-ethylcyclohexyl)-(5-methyl-1-benzofuran-2-yl)methanone is CCC1CCC(C(=O)c2cc3cc(C)ccc3o2)CC1.
What is the InChIKey of (4-ethylcyclohexyl)-(5-methyl-1-benzofuran-2-yl)methanone?
The InChIKey is XGGSJRFKXOAUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c1-3-13-5-7-14(8-6-13)18(19)17-11-15-10-12(2)4-9-16(15)20-17/h4,9-11,13-14H,3,5-8H2,1-2H3.
What are the key properties of (4-ethylcyclohexyl)-(5-methyl-1-benzofuran-2-yl)methanone?
(4-ethylcyclohexyl)-(5-methyl-1-benzofuran-2-yl)methanone has a molecular weight of 270.37 g/mol, XLogP of 5.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylcyclohexyl)-(5-methyl-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 114725432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).