5-(2-hydroxycyclopentyl)oxy-3H-2-benzofuran-1-one

C13H14O4 — CID 146296856

IUPAC5-(2-hydroxycyclopentyl)oxy-3H-2-benzofuran-1-one
SMILESO=C1OCc2cc(OC3CCCC3O)ccc21
InChIInChI=1S/C13H14O4/c14-11-2-1-3-12(11)17-9-4-5-10-8(6-9)7-16-13(10)15/h4-6,11-12,14H,1-3,7H2
InChIKeyUDINCWVIESXFKV-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.65
Rot. Bonds2

About 5-(2-hydroxycyclopentyl)oxy-3H-2-benzofuran-1-one

5-(2-hydroxycyclopentyl)oxy-3H-2-benzofuran-1-one (PubChem CID 146296856) has the molecular formula C13H14O4 and a molecular weight of 234.25 g/mol. Its IUPAC name is 5-(2-hydroxycyclopentyl)oxy-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name5-(2-hydroxycyclopentyl)oxy-3H-2-benzofuran-1-one
PubChem CID146296856
Molecular FormulaC13H14O4
Molecular Weight234.25 g/mol
Exact Mass234.09
IUPAC Name5-(2-hydroxycyclopentyl)oxy-3H-2-benzofuran-1-one
SMILESO=C1OCc2cc(OC3CCCC3O)ccc21
InChIInChI=1S/C13H14O4/c14-11-2-1-3-12(11)17-9-4-5-10-8(6-9)7-16-13(10)15/h4-6,11-12,14H,1-3,7H2
InChIKeyUDINCWVIESXFKV-UHFFFAOYSA-N
XLogP1.65
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2S)-2-methylcyclobutyl]oxy-3H-2-benzofuran-1-one
CID 162154699
5-[(1S,2R)-2-amino-3-methylcyclopentyl]oxy-3H-2-benzofuran-1-one
CID 169079955
tert-butyl N-[(1S,2S)-2-[(1-oxo-3H-2-benzofuran-5-yl)oxy]cyclohexyl]carbamate
CID 150475226
5-(2-hydroxycycloheptyl)oxy-2,3-dihydroinden-1-one
CID 107684183
4-[(1-oxo-3H-2-benzofuran-5-yl)oxy]piperidine-1-carboxylic acid
CID 89445047
5-(2-hydroxycyclohexyl)oxy-2,3-dihydroisoindol-1-one
CID 172549961
trans-(1R,2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)cyclopentan-1-ol
CID 102735479
[(1S,2S)-4,4-dimethyl-2-[(1-oxo-3H-2-benzofuran-5-yl)oxy]cyclopentyl] carbamate
CID 175135895
[(1S,2R)-2-methyl-5-[(1-oxo-3H-2-benzofuran-5-yl)oxy]cyclopentyl] N-tert-butylcarbamate
CID 169079957
6-[(1S,2S)-2-hydroxycyclopentyl]oxy-3,4-dihydro-1H-quinolin-2-one
CID 93346628
(1R)-5-(2-hydroxycyclopentyl)oxy-2,3-dihydro-1H-inden-1-ol
CID 114091325
tert-butyl (1S,5S,6R)-5-[(1-oxo-3H-2-benzofuran-5-yl)oxy]-3-azabicyclo[4.1.0]heptane-3-carboxylate
CID 166591950

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxycyclopentyl)oxy-3H-2-benzofuran-1-one?
The IUPAC name of 5-(2-hydroxycyclopentyl)oxy-3H-2-benzofuran-1-one (CID 146296856) is 5-(2-hydroxycyclopentyl)oxy-3H-2-benzofuran-1-one.
What is the SMILES notation for 5-(2-hydroxycyclopentyl)oxy-3H-2-benzofuran-1-one?
The canonical SMILES for 5-(2-hydroxycyclopentyl)oxy-3H-2-benzofuran-1-one is O=C1OCc2cc(OC3CCCC3O)ccc21.
What is the InChIKey of 5-(2-hydroxycyclopentyl)oxy-3H-2-benzofuran-1-one?
The InChIKey is UDINCWVIESXFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O4/c14-11-2-1-3-12(11)17-9-4-5-10-8(6-9)7-16-13(10)15/h4-6,11-12,14H,1-3,7H2.
What are the key properties of 5-(2-hydroxycyclopentyl)oxy-3H-2-benzofuran-1-one?
5-(2-hydroxycyclopentyl)oxy-3H-2-benzofuran-1-one has a molecular weight of 234.25 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxycyclopentyl)oxy-3H-2-benzofuran-1-one is sourced from PubChem (CID 146296856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).