5-[(2S)-2-methylcyclobutyl]oxy-3H-2-benzofuran-1-one

C13H14O3 — CID 162154699

IUPAC5-[(2S)-2-methylcyclobutyl]oxy-3H-2-benzofuran-1-one
SMILESC[C@H]1CCC1Oc1ccc2c(c1)COC2=O
InChIInChI=1S/C13H14O3/c1-8-2-5-12(8)16-10-3-4-11-9(6-10)7-15-13(11)14/h3-4,6,8,12H,2,5,7H2,1H3/t8-,12?/m0/s1
InChIKeyFKLUFWYGLQKNOC-KBPLZSHQSA-N
MW218.25 g/mol
LogP2.53
Rot. Bonds2

About 5-[(2S)-2-methylcyclobutyl]oxy-3H-2-benzofuran-1-one

5-[(2S)-2-methylcyclobutyl]oxy-3H-2-benzofuran-1-one (PubChem CID 162154699) has the molecular formula C13H14O3 and a molecular weight of 218.25 g/mol. Its IUPAC name is 5-[(2S)-2-methylcyclobutyl]oxy-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name5-[(2S)-2-methylcyclobutyl]oxy-3H-2-benzofuran-1-one
PubChem CID162154699
Molecular FormulaC13H14O3
Molecular Weight218.25 g/mol
Exact Mass218.09
IUPAC Name5-[(2S)-2-methylcyclobutyl]oxy-3H-2-benzofuran-1-one
SMILESC[C@H]1CCC1Oc1ccc2c(c1)COC2=O
InChIInChI=1S/C13H14O3/c1-8-2-5-12(8)16-10-3-4-11-9(6-10)7-15-13(11)14/h3-4,6,8,12H,2,5,7H2,1H3/t8-,12?/m0/s1
InChIKeyFKLUFWYGLQKNOC-KBPLZSHQSA-N
XLogP2.53
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-[(2S)-2-methylcyclobutyl]oxy-3H-2-benzofuran-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-2-methylcyclobutyl]oxy-3H-2-benzofuran-1-one?
The IUPAC name of 5-[(2S)-2-methylcyclobutyl]oxy-3H-2-benzofuran-1-one (CID 162154699) is 5-[(2S)-2-methylcyclobutyl]oxy-3H-2-benzofuran-1-one.
What is the SMILES notation for 5-[(2S)-2-methylcyclobutyl]oxy-3H-2-benzofuran-1-one?
The canonical SMILES for 5-[(2S)-2-methylcyclobutyl]oxy-3H-2-benzofuran-1-one is C[C@H]1CCC1Oc1ccc2c(c1)COC2=O.
What is the InChIKey of 5-[(2S)-2-methylcyclobutyl]oxy-3H-2-benzofuran-1-one?
The InChIKey is FKLUFWYGLQKNOC-KBPLZSHQSA-N. The full InChI is InChI=1S/C13H14O3/c1-8-2-5-12(8)16-10-3-4-11-9(6-10)7-15-13(11)14/h3-4,6,8,12H,2,5,7H2,1H3/t8-,12?/m0/s1.
What are the key properties of 5-[(2S)-2-methylcyclobutyl]oxy-3H-2-benzofuran-1-one?
5-[(2S)-2-methylcyclobutyl]oxy-3H-2-benzofuran-1-one has a molecular weight of 218.25 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-2-methylcyclobutyl]oxy-3H-2-benzofuran-1-one is sourced from PubChem (CID 162154699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).