1-cyclohexyl-4-(2,3-dihydro-1-benzofuran-5-yl)butan-2-one

C18H24O2 — CID 114974294

IUPAC1-cyclohexyl-4-(2,3-dihydro-1-benzofuran-5-yl)butan-2-one
SMILESO=C(CCc1ccc2c(c1)CCO2)CC1CCCCC1
InChIInChI=1S/C18H24O2/c19-17(13-14-4-2-1-3-5-14)8-6-15-7-9-18-16(12-15)10-11-20-18/h7,9,12,14H,1-6,8,10-11,13H2
InChIKeyOLTFGPUFBZESRU-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.09
Rot. Bonds5

About 1-cyclohexyl-4-(2,3-dihydro-1-benzofuran-5-yl)butan-2-one

1-cyclohexyl-4-(2,3-dihydro-1-benzofuran-5-yl)butan-2-one (PubChem CID 114974294) has the molecular formula C18H24O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-cyclohexyl-4-(2,3-dihydro-1-benzofuran-5-yl)butan-2-one.

Molecular Properties

Compound Name1-cyclohexyl-4-(2,3-dihydro-1-benzofuran-5-yl)butan-2-one
PubChem CID114974294
Molecular FormulaC18H24O2
Molecular Weight272.39 g/mol
Exact Mass272.18
IUPAC Name1-cyclohexyl-4-(2,3-dihydro-1-benzofuran-5-yl)butan-2-one
SMILESO=C(CCc1ccc2c(c1)CCO2)CC1CCCCC1
InChIInChI=1S/C18H24O2/c19-17(13-14-4-2-1-3-5-14)8-6-15-7-9-18-16(12-15)10-11-20-18/h7,9,12,14H,1-6,8,10-11,13H2
InChIKeyOLTFGPUFBZESRU-UHFFFAOYSA-N
XLogP4.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,3-dihydro-1-benzofuran-5-yl)-1-piperidin-4-ylbutan-2-one
CID 116559956
4-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-ethoxycyclobutyl)butan-2-one
CID 103167866
1-(2,3-dihydro-1-benzofuran-5-yl)-5-(oxolan-2-yl)pentan-3-one
CID 114974276
1-(4-aminopiperidin-1-yl)-4-(2,3-dihydro-1-benzofuran-5-yl)butan-2-one
CID 116593300
5-(2,3-dihydro-1-benzofuran-5-yl)-1,1,1-trifluoropentan-3-one
CID 65446247
1-(4-aminocyclohexyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one
CID 116557379
trans-(1R,2R)-2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]cycloheptane-1-carboxamide
CID 99633719
5-[2-(3-chlorocycloheptyl)ethyl]-2,3-dihydro-1-benzofuran
CID 65443648
N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)acetamide
CID 71933671
6-amino-1-(2,3-dihydro-1-benzofuran-5-yl)heptan-3-one
CID 116571723
2-cyclopentyl-N-[2-[[N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]acetamide;hydroiodide
CID 111562281
3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cycloheptan-1-amine
CID 65443042

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-(2,3-dihydro-1-benzofuran-5-yl)butan-2-one?
The IUPAC name of 1-cyclohexyl-4-(2,3-dihydro-1-benzofuran-5-yl)butan-2-one (CID 114974294) is 1-cyclohexyl-4-(2,3-dihydro-1-benzofuran-5-yl)butan-2-one.
What is the SMILES notation for 1-cyclohexyl-4-(2,3-dihydro-1-benzofuran-5-yl)butan-2-one?
The canonical SMILES for 1-cyclohexyl-4-(2,3-dihydro-1-benzofuran-5-yl)butan-2-one is O=C(CCc1ccc2c(c1)CCO2)CC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-4-(2,3-dihydro-1-benzofuran-5-yl)butan-2-one?
The InChIKey is OLTFGPUFBZESRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O2/c19-17(13-14-4-2-1-3-5-14)8-6-15-7-9-18-16(12-15)10-11-20-18/h7,9,12,14H,1-6,8,10-11,13H2.
What are the key properties of 1-cyclohexyl-4-(2,3-dihydro-1-benzofuran-5-yl)butan-2-one?
1-cyclohexyl-4-(2,3-dihydro-1-benzofuran-5-yl)butan-2-one has a molecular weight of 272.39 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-(2,3-dihydro-1-benzofuran-5-yl)butan-2-one is sourced from PubChem (CID 114974294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).