6-[5-(2-cyclohexylethoxy)-1-benzofuran-2-yl]-4-hydroxy-3,5-dimethylpyran-2-one

C23H26O5 — CID 54736746

IUPAC6-[5-(2-cyclohexylethoxy)-1-benzofuran-2-yl]-4-hydroxy-3,5-dimethylpyran-2-one
SMILESCc1c(-c2cc3cc(OCCC4CCCCC4)ccc3o2)oc(=O)c(C)c1O
InChIInChI=1S/C23H26O5/c1-14-21(24)15(2)23(25)28-22(14)20-13-17-12-18(8-9-19(17)27-20)26-11-10-16-6-4-3-5-7-16/h8-9,12-13,16,24H,3-7,10-11H2,1-2H3
InChIKeyFTWWATVQMLXNIP-UHFFFAOYSA-N
MW382.46 g/mol
LogP5.72
Rot. Bonds5

About 6-[5-(2-cyclohexylethoxy)-1-benzofuran-2-yl]-4-hydroxy-3,5-dimethylpyran-2-one

6-[5-(2-cyclohexylethoxy)-1-benzofuran-2-yl]-4-hydroxy-3,5-dimethylpyran-2-one (PubChem CID 54736746) has the molecular formula C23H26O5 and a molecular weight of 382.46 g/mol. Its IUPAC name is 6-[5-(2-cyclohexylethoxy)-1-benzofuran-2-yl]-4-hydroxy-3,5-dimethylpyran-2-one.

Molecular Properties

Compound Name6-[5-(2-cyclohexylethoxy)-1-benzofuran-2-yl]-4-hydroxy-3,5-dimethylpyran-2-one
PubChem CID54736746
Molecular FormulaC23H26O5
Molecular Weight382.46 g/mol
Exact Mass382.18
IUPAC Name6-[5-(2-cyclohexylethoxy)-1-benzofuran-2-yl]-4-hydroxy-3,5-dimethylpyran-2-one
SMILESCc1c(-c2cc3cc(OCCC4CCCCC4)ccc3o2)oc(=O)c(C)c1O
InChIInChI=1S/C23H26O5/c1-14-21(24)15(2)23(25)28-22(14)20-13-17-12-18(8-9-19(17)27-20)26-11-10-16-6-4-3-5-7-16/h8-9,12-13,16,24H,3-7,10-11H2,1-2H3
InChIKeyFTWWATVQMLXNIP-UHFFFAOYSA-N
XLogP5.72
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.46
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[6-(2-cyclohexylethoxy)-1-benzofuran-2-yl]-4-hydroxy-3,5-dimethylpyran-2-one
CID 54733152
6-[6-(3-cyclohexylpropoxy)-1-benzofuran-2-yl]-4-hydroxy-3,5-dimethylpyran-2-one
CID 54729589
6-[5-[(3,5-dimethylphenyl)methoxy]-1-benzofuran-2-yl]-4-hydroxy-3,5-dimethylpyran-2-one
CID 54732123
6-[5-[(3-aminophenyl)methoxy]-1-benzofuran-2-yl]-4-hydroxy-3,5-dimethylpyran-2-one
CID 54728228
4-hydroxy-3,5-dimethyl-6-[5-[[2-(trifluoromethyl)phenyl]methoxy]-1-benzofuran-2-yl]pyran-2-one
CID 54727870
4-hydroxy-3,5-dimethyl-6-[6-(2-morpholin-4-ylethoxy)-1-benzofuran-2-yl]pyran-2-one
CID 54738935
tert-butyl N-[3-[[2-(4-hydroxy-3,5-dimethyl-6-oxopyran-2-yl)-1-benzofuran-5-yl]oxymethyl]phenyl]carbamate
CID 54733738
4-hydroxy-6-[6-[(3-methoxyphenyl)methoxy]-1-benzofuran-2-yl]-3,5-dimethylpyran-2-one
CID 54728020
1-[[2-(4-hydroxy-3,5-dimethyl-6-oxopyran-2-yl)-1-benzofuran-5-yl]methyl]imidazolidin-2-one
CID 54736082
1-[2-(4-hydroxy-3,5-dimethyl-6-oxopyran-2-yl)-1-benzofuran-5-yl]piperazine-2,3-dione
CID 54726650
6-[2-(1-methylpiperidin-2-yl)ethoxy]chromen-2-one
CID 88650025
3-hydroxy-6-(3-hydroxypropoxy)chromen-2-one
CID 174466451

Frequently Asked Questions

What is the IUPAC name of 6-[5-(2-cyclohexylethoxy)-1-benzofuran-2-yl]-4-hydroxy-3,5-dimethylpyran-2-one?
The IUPAC name of 6-[5-(2-cyclohexylethoxy)-1-benzofuran-2-yl]-4-hydroxy-3,5-dimethylpyran-2-one (CID 54736746) is 6-[5-(2-cyclohexylethoxy)-1-benzofuran-2-yl]-4-hydroxy-3,5-dimethylpyran-2-one.
What is the SMILES notation for 6-[5-(2-cyclohexylethoxy)-1-benzofuran-2-yl]-4-hydroxy-3,5-dimethylpyran-2-one?
The canonical SMILES for 6-[5-(2-cyclohexylethoxy)-1-benzofuran-2-yl]-4-hydroxy-3,5-dimethylpyran-2-one is Cc1c(-c2cc3cc(OCCC4CCCCC4)ccc3o2)oc(=O)c(C)c1O.
What is the InChIKey of 6-[5-(2-cyclohexylethoxy)-1-benzofuran-2-yl]-4-hydroxy-3,5-dimethylpyran-2-one?
The InChIKey is FTWWATVQMLXNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26O5/c1-14-21(24)15(2)23(25)28-22(14)20-13-17-12-18(8-9-19(17)27-20)26-11-10-16-6-4-3-5-7-16/h8-9,12-13,16,24H,3-7,10-11H2,1-2H3.
What are the key properties of 6-[5-(2-cyclohexylethoxy)-1-benzofuran-2-yl]-4-hydroxy-3,5-dimethylpyran-2-one?
6-[5-(2-cyclohexylethoxy)-1-benzofuran-2-yl]-4-hydroxy-3,5-dimethylpyran-2-one has a molecular weight of 382.46 g/mol, XLogP of 5.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(2-cyclohexylethoxy)-1-benzofuran-2-yl]-4-hydroxy-3,5-dimethylpyran-2-one is sourced from PubChem (CID 54736746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).