2-[(2-chlorocyclopentyl)methyl]-5-methyl-2,3-dihydro-1-benzofuran

C15H19ClO — CID 66360655

IUPAC2-[(2-chlorocyclopentyl)methyl]-5-methyl-2,3-dihydro-1-benzofuran
SMILESCc1ccc2c(c1)CC(CC1CCCC1Cl)O2
InChIInChI=1S/C15H19ClO/c1-10-5-6-15-12(7-10)9-13(17-15)8-11-3-2-4-14(11)16/h5-7,11,13-14H,2-4,8-9H2,1H3
InChIKeyQLEGBCFTRJQAMT-UHFFFAOYSA-N
MW250.77 g/mol
LogP4.10
Rot. Bonds2

About 2-[(2-chlorocyclopentyl)methyl]-5-methyl-2,3-dihydro-1-benzofuran

2-[(2-chlorocyclopentyl)methyl]-5-methyl-2,3-dihydro-1-benzofuran (PubChem CID 66360655) has the molecular formula C15H19ClO and a molecular weight of 250.77 g/mol. Its IUPAC name is 2-[(2-chlorocyclopentyl)methyl]-5-methyl-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name2-[(2-chlorocyclopentyl)methyl]-5-methyl-2,3-dihydro-1-benzofuran
PubChem CID66360655
Molecular FormulaC15H19ClO
Molecular Weight250.77 g/mol
Exact Mass250.11
IUPAC Name2-[(2-chlorocyclopentyl)methyl]-5-methyl-2,3-dihydro-1-benzofuran
SMILESCc1ccc2c(c1)CC(CC1CCCC1Cl)O2
InChIInChI=1S/C15H19ClO/c1-10-5-6-15-12(7-10)9-13(17-15)8-11-3-2-4-14(11)16/h5-7,11,13-14H,2-4,8-9H2,1H3
InChIKeyQLEGBCFTRJQAMT-UHFFFAOYSA-N
XLogP4.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[(2-chlorocyclopentyl)methyl]-5-methyl-2,3-dihydro-1-benzofuran 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 2-[(2-chlorocyclopentyl)methyl]-5-methyl-2,3-dihydro-1-benzofuran?
The IUPAC name of 2-[(2-chlorocyclopentyl)methyl]-5-methyl-2,3-dihydro-1-benzofuran (CID 66360655) is 2-[(2-chlorocyclopentyl)methyl]-5-methyl-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 2-[(2-chlorocyclopentyl)methyl]-5-methyl-2,3-dihydro-1-benzofuran?
The canonical SMILES for 2-[(2-chlorocyclopentyl)methyl]-5-methyl-2,3-dihydro-1-benzofuran is Cc1ccc2c(c1)CC(CC1CCCC1Cl)O2.
What is the InChIKey of 2-[(2-chlorocyclopentyl)methyl]-5-methyl-2,3-dihydro-1-benzofuran?
The InChIKey is QLEGBCFTRJQAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClO/c1-10-5-6-15-12(7-10)9-13(17-15)8-11-3-2-4-14(11)16/h5-7,11,13-14H,2-4,8-9H2,1H3.
What are the key properties of 2-[(2-chlorocyclopentyl)methyl]-5-methyl-2,3-dihydro-1-benzofuran?
2-[(2-chlorocyclopentyl)methyl]-5-methyl-2,3-dihydro-1-benzofuran has a molecular weight of 250.77 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorocyclopentyl)methyl]-5-methyl-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 66360655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).