(3,5-dimethylcyclohexyl)-(5-methyl-1-benzofuran-2-yl)methanone

C18H22O2 — CID 105105126

IUPAC(3,5-dimethylcyclohexyl)-(5-methyl-1-benzofuran-2-yl)methanone
SMILESCc1ccc2oc(C(=O)C3CC(C)CC(C)C3)cc2c1
InChIInChI=1S/C18H22O2/c1-11-4-5-16-14(7-11)10-17(20-16)18(19)15-8-12(2)6-13(3)9-15/h4-5,7,10,12-13,15H,6,8-9H2,1-3H3
InChIKeyYEYMZIIKEDQESE-UHFFFAOYSA-N
MW270.37 g/mol
LogP5.00
Rot. Bonds2

About (3,5-dimethylcyclohexyl)-(5-methyl-1-benzofuran-2-yl)methanone

(3,5-dimethylcyclohexyl)-(5-methyl-1-benzofuran-2-yl)methanone (PubChem CID 105105126) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is (3,5-dimethylcyclohexyl)-(5-methyl-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethylcyclohexyl)-(5-methyl-1-benzofuran-2-yl)methanone
PubChem CID105105126
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name(3,5-dimethylcyclohexyl)-(5-methyl-1-benzofuran-2-yl)methanone
SMILESCc1ccc2oc(C(=O)C3CC(C)CC(C)C3)cc2c1
InChIInChI=1S/C18H22O2/c1-11-4-5-16-14(7-11)10-17(20-16)18(19)15-8-12(2)6-13(3)9-15/h4-5,7,10,12-13,15H,6,8-9H2,1-3H3
InChIKeyYEYMZIIKEDQESE-UHFFFAOYSA-N
XLogP5.00
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3,5-dimethylcyclohexyl)-(5-methyl-1-benzofuran-2-yl)methanone with MolForge

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Related Compounds

azetidin-3-yl-(5-methyl-1-benzofuran-2-yl)methanone
CID 114736841
[4-(aminomethyl)cyclohexyl]-(5-methyl-1-benzofuran-2-yl)methanone
CID 114737007
(4-ethylcyclohexyl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 114725432
1-(5-methyl-1-benzofuran-2-yl)ethanone
CID 15549614
1-(5-methyl-1-benzofuran-2-yl)prop-2-yn-1-one
CID 105108138
1,4-dithian-2-yl-(5-methyl-1-benzofuran-2-yl)methanone
CID 114725755
3-bicyclo[3.1.0]hexanyl-(5-chloro-1-benzofuran-2-yl)methanone
CID 115808599
[2-(aminomethyl)cyclohexyl]-(5-methyl-1-benzofuran-2-yl)methanone
CID 114736859
(1,4-dimethylpiperazin-2-yl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 114725716
N-cyclopentyl-5-methyl-1-benzofuran-2-carboxamide
CID 17015654
(3,5-dimethylpiperidin-1-yl)-(6-methyl-1-benzofuran-2-yl)methanone
CID 84575451
[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(5-methyl-1-benzofuran-2-yl)methanone
CID 55929335

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylcyclohexyl)-(5-methyl-1-benzofuran-2-yl)methanone?
The IUPAC name of (3,5-dimethylcyclohexyl)-(5-methyl-1-benzofuran-2-yl)methanone (CID 105105126) is (3,5-dimethylcyclohexyl)-(5-methyl-1-benzofuran-2-yl)methanone.
What is the SMILES notation for (3,5-dimethylcyclohexyl)-(5-methyl-1-benzofuran-2-yl)methanone?
The canonical SMILES for (3,5-dimethylcyclohexyl)-(5-methyl-1-benzofuran-2-yl)methanone is Cc1ccc2oc(C(=O)C3CC(C)CC(C)C3)cc2c1.
What is the InChIKey of (3,5-dimethylcyclohexyl)-(5-methyl-1-benzofuran-2-yl)methanone?
The InChIKey is YEYMZIIKEDQESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c1-11-4-5-16-14(7-11)10-17(20-16)18(19)15-8-12(2)6-13(3)9-15/h4-5,7,10,12-13,15H,6,8-9H2,1-3H3.
What are the key properties of (3,5-dimethylcyclohexyl)-(5-methyl-1-benzofuran-2-yl)methanone?
(3,5-dimethylcyclohexyl)-(5-methyl-1-benzofuran-2-yl)methanone has a molecular weight of 270.37 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylcyclohexyl)-(5-methyl-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 105105126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).