5-(1-chloropentyl)-2,3-dihydro-1-benzofuran

C13H17ClO — CID 61086357

IUPAC5-(1-chloropentyl)-2,3-dihydro-1-benzofuran
SMILESCCCCC(Cl)c1ccc2c(c1)CCO2
InChIInChI=1S/C13H17ClO/c1-2-3-4-12(14)10-5-6-13-11(9-10)7-8-15-13/h5-6,9,12H,2-4,7-8H2,1H3
InChIKeyUPPNKGUDZRCHKX-UHFFFAOYSA-N
MW224.73 g/mol
LogP4.09
Rot. Bonds4

About 5-(1-chloropentyl)-2,3-dihydro-1-benzofuran

5-(1-chloropentyl)-2,3-dihydro-1-benzofuran (PubChem CID 61086357) has the molecular formula C13H17ClO and a molecular weight of 224.73 g/mol. Its IUPAC name is 5-(1-chloropentyl)-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-(1-chloropentyl)-2,3-dihydro-1-benzofuran
PubChem CID61086357
Molecular FormulaC13H17ClO
Molecular Weight224.73 g/mol
Exact Mass224.10
IUPAC Name5-(1-chloropentyl)-2,3-dihydro-1-benzofuran
SMILESCCCCC(Cl)c1ccc2c(c1)CCO2
InChIInChI=1S/C13H17ClO/c1-2-3-4-12(14)10-5-6-13-11(9-10)7-8-15-13/h5-6,9,12H,2-4,7-8H2,1H3
InChIKeyUPPNKGUDZRCHKX-UHFFFAOYSA-N
XLogP4.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-(1-chloropentyl)-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

Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)pentan-1-amine;hydrochloride
CID 86262922
1-(2,3-dihydro-1-benzofuran-5-yl)hexan-1-ol
CID 61099251
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylnonan-1-amine
CID 65450080
1-(2,3-dihydro-1-benzofuran-5-yl)butan-1-ol
CID 61100081
6-(1-chloro-4-methylpentyl)-3,4-dihydro-2H-chromene
CID 55199306
1-(2,3-dihydro-1-benzofuran-5-yl)decylhydrazine
CID 105293354
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylheptan-1-amine
CID 114752389
1-(2,3-dihydro-1-benzofuran-5-yl)-2-propylpentan-1-amine
CID 82984024
5-[chloro-(4-ethylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 63430181
5-butan-2-yl-2,3-dihydro-1-benzofuran
CID 89176252
5-[chloro-(3,4-diethylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 115482879
N-undecan-6-yl-2,3-dihydro-1-benzofuran-5-amine
CID 43788575

Frequently Asked Questions

What is the IUPAC name of 5-(1-chloropentyl)-2,3-dihydro-1-benzofuran?
The IUPAC name of 5-(1-chloropentyl)-2,3-dihydro-1-benzofuran (CID 61086357) is 5-(1-chloropentyl)-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5-(1-chloropentyl)-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5-(1-chloropentyl)-2,3-dihydro-1-benzofuran is CCCCC(Cl)c1ccc2c(c1)CCO2.
What is the InChIKey of 5-(1-chloropentyl)-2,3-dihydro-1-benzofuran?
The InChIKey is UPPNKGUDZRCHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClO/c1-2-3-4-12(14)10-5-6-13-11(9-10)7-8-15-13/h5-6,9,12H,2-4,7-8H2,1H3.
What are the key properties of 5-(1-chloropentyl)-2,3-dihydro-1-benzofuran?
5-(1-chloropentyl)-2,3-dihydro-1-benzofuran has a molecular weight of 224.73 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-chloropentyl)-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 61086357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).