2-(4-chlorobutyl)-2,3-dihydro-1-benzofuran

C12H15ClO — CID 66363280

IUPAC2-(4-chlorobutyl)-2,3-dihydro-1-benzofuran
SMILESClCCCCC1Cc2ccccc2O1
InChIInChI=1S/C12H15ClO/c13-8-4-3-6-11-9-10-5-1-2-7-12(10)14-11/h1-2,5,7,11H,3-4,6,8-9H2
InChIKeyNEEDJNUOQMRVSF-UHFFFAOYSA-N
MW210.70 g/mol
LogP3.40
Rot. Bonds4

About 2-(4-chlorobutyl)-2,3-dihydro-1-benzofuran

2-(4-chlorobutyl)-2,3-dihydro-1-benzofuran (PubChem CID 66363280) has the molecular formula C12H15ClO and a molecular weight of 210.70 g/mol. Its IUPAC name is 2-(4-chlorobutyl)-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name2-(4-chlorobutyl)-2,3-dihydro-1-benzofuran
PubChem CID66363280
Molecular FormulaC12H15ClO
Molecular Weight210.70 g/mol
Exact Mass210.08
IUPAC Name2-(4-chlorobutyl)-2,3-dihydro-1-benzofuran
SMILESClCCCCC1Cc2ccccc2O1
InChIInChI=1S/C12H15ClO/c13-8-4-3-6-11-9-10-5-1-2-7-12(10)14-11/h1-2,5,7,11H,3-4,6,8-9H2
InChIKeyNEEDJNUOQMRVSF-UHFFFAOYSA-N
XLogP3.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.70
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(4-chlorobutyl)-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

2-(2-chloroethyl)-2,3-dihydro-1-benzofuran
CID 141218488
2-(4-chlorobutyl)-3,4-dihydro-2H-chromene
CID 142039249
2-(4-chloroheptyl)-2,3-dihydro-1-benzofuran
CID 66363473
1-(2,3-dihydro-1-benzofuran-2-yl)-N,N-dimethylmethanamine
CID 2842479
4-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)butan-2-amine
CID 83186640
2-(3-chloro-2-methylpentyl)-2,3-dihydro-1-benzofuran
CID 66363434
2-[2-(chloromethyl)butyl]-2,3-dihydro-1-benzofuran
CID 66364657
2,3-dihydro-1-benzofuran-2-ylmethyl(trimethyl)azanium
CID 3112651
2-(methylsulfanylmethyl)-2,3-dihydro-1-benzofuran
CID 12872573
1-(2-chloroethyl)-4-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1,4-diazepane
CID 66364035
2,3-dihydro-1-benzofuran-2-ylmethyl(dimethyl)azanium chloride
CID 44658129
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclopropanamine
CID 43163825

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorobutyl)-2,3-dihydro-1-benzofuran?
The IUPAC name of 2-(4-chlorobutyl)-2,3-dihydro-1-benzofuran (CID 66363280) is 2-(4-chlorobutyl)-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 2-(4-chlorobutyl)-2,3-dihydro-1-benzofuran?
The canonical SMILES for 2-(4-chlorobutyl)-2,3-dihydro-1-benzofuran is ClCCCCC1Cc2ccccc2O1.
What is the InChIKey of 2-(4-chlorobutyl)-2,3-dihydro-1-benzofuran?
The InChIKey is NEEDJNUOQMRVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO/c13-8-4-3-6-11-9-10-5-1-2-7-12(10)14-11/h1-2,5,7,11H,3-4,6,8-9H2.
What are the key properties of 2-(4-chlorobutyl)-2,3-dihydro-1-benzofuran?
2-(4-chlorobutyl)-2,3-dihydro-1-benzofuran has a molecular weight of 210.70 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorobutyl)-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 66363280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).