6-cyclopentyl-3-methyl-3H-1-benzofuran-2-one

C14H16O2 — CID 10465898

IUPAC6-cyclopentyl-3-methyl-3H-1-benzofuran-2-one
SMILESCC1C(=O)Oc2cc(C3CCCC3)ccc21
InChIInChI=1S/C14H16O2/c1-9-12-7-6-11(10-4-2-3-5-10)8-13(12)16-14(9)15/h6-10H,2-5H2,1H3
InChIKeyCMQZZOXWDSQFET-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.37
Rot. Bonds1

About 6-cyclopentyl-3-methyl-3H-1-benzofuran-2-one

6-cyclopentyl-3-methyl-3H-1-benzofuran-2-one (PubChem CID 10465898) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 6-cyclopentyl-3-methyl-3H-1-benzofuran-2-one.

Molecular Properties

Compound Name6-cyclopentyl-3-methyl-3H-1-benzofuran-2-one
PubChem CID10465898
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name6-cyclopentyl-3-methyl-3H-1-benzofuran-2-one
SMILESCC1C(=O)Oc2cc(C3CCCC3)ccc21
InChIInChI=1S/C14H16O2/c1-9-12-7-6-11(10-4-2-3-5-10)8-13(12)16-14(9)15/h6-10H,2-5H2,1H3
InChIKeyCMQZZOXWDSQFET-UHFFFAOYSA-N
XLogP3.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-3-methyl-3H-1-benzofuran-2-one?
The IUPAC name of 6-cyclopentyl-3-methyl-3H-1-benzofuran-2-one (CID 10465898) is 6-cyclopentyl-3-methyl-3H-1-benzofuran-2-one.
What is the SMILES notation for 6-cyclopentyl-3-methyl-3H-1-benzofuran-2-one?
The canonical SMILES for 6-cyclopentyl-3-methyl-3H-1-benzofuran-2-one is CC1C(=O)Oc2cc(C3CCCC3)ccc21.
What is the InChIKey of 6-cyclopentyl-3-methyl-3H-1-benzofuran-2-one?
The InChIKey is CMQZZOXWDSQFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c1-9-12-7-6-11(10-4-2-3-5-10)8-13(12)16-14(9)15/h6-10H,2-5H2,1H3.
What are the key properties of 6-cyclopentyl-3-methyl-3H-1-benzofuran-2-one?
6-cyclopentyl-3-methyl-3H-1-benzofuran-2-one has a molecular weight of 216.28 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-3-methyl-3H-1-benzofuran-2-one is sourced from PubChem (CID 10465898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).