6-chloro-5-ethyl-4,5-dihydro-1-benzofuran

C10H11ClO — CID 90222025

IUPAC6-chloro-5-ethyl-4,5-dihydro-1-benzofuran
SMILESCCC1Cc2ccoc2C=C1Cl
InChIInChI=1S/C10H11ClO/c1-2-7-5-8-3-4-12-10(8)6-9(7)11/h3-4,6-7H,2,5H2,1H3
InChIKeyDJJXSLNZJXIGDF-UHFFFAOYSA-N
MW182.65 g/mol
LogP3.44
Rot. Bonds1

About 6-chloro-5-ethyl-4,5-dihydro-1-benzofuran

6-chloro-5-ethyl-4,5-dihydro-1-benzofuran (PubChem CID 90222025) has the molecular formula C10H11ClO and a molecular weight of 182.65 g/mol. Its IUPAC name is 6-chloro-5-ethyl-4,5-dihydro-1-benzofuran.

Molecular Properties

Compound Name6-chloro-5-ethyl-4,5-dihydro-1-benzofuran
PubChem CID90222025
Molecular FormulaC10H11ClO
Molecular Weight182.65 g/mol
Exact Mass182.05
IUPAC Name6-chloro-5-ethyl-4,5-dihydro-1-benzofuran
SMILESCCC1Cc2ccoc2C=C1Cl
InChIInChI=1S/C10H11ClO/c1-2-7-5-8-3-4-12-10(8)6-9(7)11/h3-4,6-7H,2,5H2,1H3
InChIKeyDJJXSLNZJXIGDF-UHFFFAOYSA-N
XLogP3.44
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.65
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-ethyl-4,5-dihydro-1-benzofuran?
The IUPAC name of 6-chloro-5-ethyl-4,5-dihydro-1-benzofuran (CID 90222025) is 6-chloro-5-ethyl-4,5-dihydro-1-benzofuran.
What is the SMILES notation for 6-chloro-5-ethyl-4,5-dihydro-1-benzofuran?
The canonical SMILES for 6-chloro-5-ethyl-4,5-dihydro-1-benzofuran is CCC1Cc2ccoc2C=C1Cl.
What is the InChIKey of 6-chloro-5-ethyl-4,5-dihydro-1-benzofuran?
The InChIKey is DJJXSLNZJXIGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO/c1-2-7-5-8-3-4-12-10(8)6-9(7)11/h3-4,6-7H,2,5H2,1H3.
What are the key properties of 6-chloro-5-ethyl-4,5-dihydro-1-benzofuran?
6-chloro-5-ethyl-4,5-dihydro-1-benzofuran has a molecular weight of 182.65 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-ethyl-4,5-dihydro-1-benzofuran is sourced from PubChem (CID 90222025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).