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

C10H11ClO — CID 141218488

IUPAC2-(2-chloroethyl)-2,3-dihydro-1-benzofuran
SMILESClCCC1Cc2ccccc2O1
InChIInChI=1S/C10H11ClO/c11-6-5-9-7-8-3-1-2-4-10(8)12-9/h1-4,9H,5-7H2
InChIKeyFFHNAEVXPOAPGW-UHFFFAOYSA-N
MW182.65 g/mol
LogP2.62
Rot. Bonds2

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

2-(2-chloroethyl)-2,3-dihydro-1-benzofuran (PubChem CID 141218488) has the molecular formula C10H11ClO and a molecular weight of 182.65 g/mol. Its IUPAC name is 2-(2-chloroethyl)-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name2-(2-chloroethyl)-2,3-dihydro-1-benzofuran
PubChem CID141218488
Molecular FormulaC10H11ClO
Molecular Weight182.65 g/mol
Exact Mass182.05
IUPAC Name2-(2-chloroethyl)-2,3-dihydro-1-benzofuran
SMILESClCCC1Cc2ccccc2O1
InChIInChI=1S/C10H11ClO/c11-6-5-9-7-8-3-1-2-4-10(8)12-9/h1-4,9H,5-7H2
InChIKeyFFHNAEVXPOAPGW-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
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-(4-chlorobutyl)-2,3-dihydro-1-benzofuran
CID 66363280
(3R)-3-(2-chloroethyl)-2,3-dihydro-1,4-benzodioxine
CID 92980685
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-(4-chloroheptyl)-2,3-dihydro-1-benzofuran
CID 66363473
2-[2-(chloromethyl)butyl]-2,3-dihydro-1-benzofuran
CID 66364657
2-(methylsulfanylmethyl)-2,3-dihydro-1-benzofuran
CID 12872573
2,3-dihydro-1-benzofuran-2-ylmethyl(trimethyl)azanium
CID 3112651
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
2-(4-chlorobutyl)-3,4-dihydro-2H-chromene
CID 142039249

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-2,3-dihydro-1-benzofuran?
The IUPAC name of 2-(2-chloroethyl)-2,3-dihydro-1-benzofuran (CID 141218488) is 2-(2-chloroethyl)-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 2-(2-chloroethyl)-2,3-dihydro-1-benzofuran?
The canonical SMILES for 2-(2-chloroethyl)-2,3-dihydro-1-benzofuran is ClCCC1Cc2ccccc2O1.
What is the InChIKey of 2-(2-chloroethyl)-2,3-dihydro-1-benzofuran?
The InChIKey is FFHNAEVXPOAPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO/c11-6-5-9-7-8-3-1-2-4-10(8)12-9/h1-4,9H,5-7H2.
What are the key properties of 2-(2-chloroethyl)-2,3-dihydro-1-benzofuran?
2-(2-chloroethyl)-2,3-dihydro-1-benzofuran has a molecular weight of 182.65 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 141218488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).