4-hydroxy-4-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-one

C15H16O3 — CID 114724058

IUPAC4-hydroxy-4-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-one
SMILESCc1cccc2cc(C3(O)CCC(=O)CC3)oc12
InChIInChI=1S/C15H16O3/c1-10-3-2-4-11-9-13(18-14(10)11)15(17)7-5-12(16)6-8-15/h2-4,9,17H,5-8H2,1H3
InChIKeyJDFOUPASWXNSOJ-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.07
Rot. Bonds1

About 4-hydroxy-4-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-one

4-hydroxy-4-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-one (PubChem CID 114724058) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-hydroxy-4-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-one.

Molecular Properties

Compound Name4-hydroxy-4-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-one
PubChem CID114724058
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name4-hydroxy-4-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-one
SMILESCc1cccc2cc(C3(O)CCC(=O)CC3)oc12
InChIInChI=1S/C15H16O3/c1-10-3-2-4-11-9-13(18-14(10)11)15(17)7-5-12(16)6-8-15/h2-4,9,17H,5-8H2,1H3
InChIKeyJDFOUPASWXNSOJ-UHFFFAOYSA-N
XLogP3.07
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-hydroxy-4-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-one with MolForge

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Launch Full Analysis

Related Compounds

8-(7-methyl-1-benzofuran-2-yl)spiro[4.5]decan-8-ol
CID 114819752
2-(7-methyl-1-benzofuran-2-yl)-1,3-dihydroinden-2-ol
CID 114722939
2,2-dimethyl-4-(7-methyl-1-benzofuran-2-yl)oxan-4-ol
CID 114723809
1-(7-methyl-1-benzofuran-2-yl)-4-(propylamino)cyclohexan-1-ol
CID 114735091
1,5-dimethyl-3-(7-methyl-1-benzofuran-2-yl)pyrrolidin-3-ol
CID 114724418
3,3,5-trimethyl-1-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-ol
CID 114722876
2,3-dimethyl-1-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-ol
CID 114723887
2,4,4-trimethyl-1-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-ol
CID 114724391
(1-aminocyclohexyl)-(7-methyl-1-benzofuran-2-yl)methanone
CID 114736196
[1-(dimethylamino)cyclohexyl]-(7-methyl-1-benzofuran-2-yl)methanone
CID 114725657
8-(7-fluoro-1-benzofuran-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol
CID 114724054
1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 14468440

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-one?
The IUPAC name of 4-hydroxy-4-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-one (CID 114724058) is 4-hydroxy-4-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-one.
What is the SMILES notation for 4-hydroxy-4-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-one?
The canonical SMILES for 4-hydroxy-4-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-one is Cc1cccc2cc(C3(O)CCC(=O)CC3)oc12.
What is the InChIKey of 4-hydroxy-4-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-one?
The InChIKey is JDFOUPASWXNSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3/c1-10-3-2-4-11-9-13(18-14(10)11)15(17)7-5-12(16)6-8-15/h2-4,9,17H,5-8H2,1H3.
What are the key properties of 4-hydroxy-4-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-one?
4-hydroxy-4-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-one has a molecular weight of 244.29 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-one is sourced from PubChem (CID 114724058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).