6-(2-chloroethyl)-2,3-dihydro-1-benzofuran

C10H11ClO — CID 130750027

IUPAC6-(2-chloroethyl)-2,3-dihydro-1-benzofuran
SMILESClCCc1ccc2c(c1)OCC2
InChIInChI=1S/C10H11ClO/c11-5-3-8-1-2-9-4-6-12-10(9)7-8/h1-2,7H,3-6H2
InChIKeyOIVSOGGXECDFKG-UHFFFAOYSA-N
MW182.65 g/mol
LogP2.40
Rot. Bonds2

About 6-(2-chloroethyl)-2,3-dihydro-1-benzofuran

6-(2-chloroethyl)-2,3-dihydro-1-benzofuran (PubChem CID 130750027) has the molecular formula C10H11ClO and a molecular weight of 182.65 g/mol. Its IUPAC name is 6-(2-chloroethyl)-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name6-(2-chloroethyl)-2,3-dihydro-1-benzofuran
PubChem CID130750027
Molecular FormulaC10H11ClO
Molecular Weight182.65 g/mol
Exact Mass182.05
IUPAC Name6-(2-chloroethyl)-2,3-dihydro-1-benzofuran
SMILESClCCc1ccc2c(c1)OCC2
InChIInChI=1S/C10H11ClO/c11-5-3-8-1-2-9-4-6-12-10(9)7-8/h1-2,7H,3-6H2
InChIKeyOIVSOGGXECDFKG-UHFFFAOYSA-N
XLogP2.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.65
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2,3-dihydro-1-benzofuran-6-yl)ethanamine
CID 82415104
6-ethyl-2,3-dihydro-1-benzofuran
CID 59981216
acetylene;6-ethyl-2,3-dihydro-1-benzofuran
CID 174280285
6-(2,2-dimethylpropyl)-2,3-dihydro-1-benzofuran
CID 59832132
5-(chloromethyl)-2,3-dihydro-1-benzofuran
CID 11789614
7-(2-chloroethyl)-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 82473509
3-(2,3-dihydro-1-benzofuran-6-yl)-2-methylpropan-1-ol
CID 131026060
2-(2,3-dihydro-1-benzofuran-6-ylmethyl)cyclopentan-1-amine
CID 82393396
5-(2-isocyanoethyl)-2,3-dihydro-1-benzofuran
CID 83481552
N-(2-chloroethyl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclohexanamine
CID 65445563
N-(2-chloroethyl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pentan-3-amine
CID 65445941
3-chloro-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]propanamide
CID 115162653

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloroethyl)-2,3-dihydro-1-benzofuran?
The IUPAC name of 6-(2-chloroethyl)-2,3-dihydro-1-benzofuran (CID 130750027) is 6-(2-chloroethyl)-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 6-(2-chloroethyl)-2,3-dihydro-1-benzofuran?
The canonical SMILES for 6-(2-chloroethyl)-2,3-dihydro-1-benzofuran is ClCCc1ccc2c(c1)OCC2.
What is the InChIKey of 6-(2-chloroethyl)-2,3-dihydro-1-benzofuran?
The InChIKey is OIVSOGGXECDFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO/c11-5-3-8-1-2-9-4-6-12-10(9)7-8/h1-2,7H,3-6H2.
What are the key properties of 6-(2-chloroethyl)-2,3-dihydro-1-benzofuran?
6-(2-chloroethyl)-2,3-dihydro-1-benzofuran has a molecular weight of 182.65 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloroethyl)-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 130750027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).