2-(3-chloro-1-methylcyclopentyl)-1-benzofuran

C14H15ClO — CID 114734023

IUPAC2-(3-chloro-1-methylcyclopentyl)-1-benzofuran
SMILESCC1(c2cc3ccccc3o2)CCC(Cl)C1
InChIInChI=1S/C14H15ClO/c1-14(7-6-11(15)9-14)13-8-10-4-2-3-5-12(10)16-13/h2-5,8,11H,6-7,9H2,1H3
InChIKeySBATVMGGXQFOBE-UHFFFAOYSA-N
MW234.73 g/mol
LogP4.48
Rot. Bonds1

About 2-(3-chloro-1-methylcyclopentyl)-1-benzofuran

2-(3-chloro-1-methylcyclopentyl)-1-benzofuran (PubChem CID 114734023) has the molecular formula C14H15ClO and a molecular weight of 234.73 g/mol. Its IUPAC name is 2-(3-chloro-1-methylcyclopentyl)-1-benzofuran.

Molecular Properties

Compound Name2-(3-chloro-1-methylcyclopentyl)-1-benzofuran
PubChem CID114734023
Molecular FormulaC14H15ClO
Molecular Weight234.73 g/mol
Exact Mass234.08
IUPAC Name2-(3-chloro-1-methylcyclopentyl)-1-benzofuran
SMILESCC1(c2cc3ccccc3o2)CCC(Cl)C1
InChIInChI=1S/C14H15ClO/c1-14(7-6-11(15)9-14)13-8-10-4-2-3-5-12(10)16-13/h2-5,8,11H,6-7,9H2,1H3
InChIKeySBATVMGGXQFOBE-UHFFFAOYSA-N
XLogP4.48
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-1-methylcyclopentyl)-1-benzofuran?
The IUPAC name of 2-(3-chloro-1-methylcyclopentyl)-1-benzofuran (CID 114734023) is 2-(3-chloro-1-methylcyclopentyl)-1-benzofuran.
What is the SMILES notation for 2-(3-chloro-1-methylcyclopentyl)-1-benzofuran?
The canonical SMILES for 2-(3-chloro-1-methylcyclopentyl)-1-benzofuran is CC1(c2cc3ccccc3o2)CCC(Cl)C1.
What is the InChIKey of 2-(3-chloro-1-methylcyclopentyl)-1-benzofuran?
The InChIKey is SBATVMGGXQFOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClO/c1-14(7-6-11(15)9-14)13-8-10-4-2-3-5-12(10)16-13/h2-5,8,11H,6-7,9H2,1H3.
What are the key properties of 2-(3-chloro-1-methylcyclopentyl)-1-benzofuran?
2-(3-chloro-1-methylcyclopentyl)-1-benzofuran has a molecular weight of 234.73 g/mol, XLogP of 4.48, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-1-methylcyclopentyl)-1-benzofuran is sourced from PubChem (CID 114734023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).