5-chloro-2-(3-chloroprop-1-ynyl)-1-benzofuran

C11H6Cl2O — CID 114731545

IUPAC5-chloro-2-(3-chloroprop-1-ynyl)-1-benzofuran
SMILESClCC#Cc1cc2cc(Cl)ccc2o1
InChIInChI=1S/C11H6Cl2O/c12-5-1-2-10-7-8-6-9(13)3-4-11(8)14-10/h3-4,6-7H,5H2
InChIKeyURFFEHDGQQZJCL-UHFFFAOYSA-N
MW225.07 g/mol
LogP3.68
Rot. Bonds

About 5-chloro-2-(3-chloroprop-1-ynyl)-1-benzofuran

5-chloro-2-(3-chloroprop-1-ynyl)-1-benzofuran (PubChem CID 114731545) has the molecular formula C11H6Cl2O and a molecular weight of 225.07 g/mol. Its IUPAC name is 5-chloro-2-(3-chloroprop-1-ynyl)-1-benzofuran.

Molecular Properties

Compound Name5-chloro-2-(3-chloroprop-1-ynyl)-1-benzofuran
PubChem CID114731545
Molecular FormulaC11H6Cl2O
Molecular Weight225.07 g/mol
Exact Mass223.98
IUPAC Name5-chloro-2-(3-chloroprop-1-ynyl)-1-benzofuran
SMILESClCC#Cc1cc2cc(Cl)ccc2o1
InChIInChI=1S/C11H6Cl2O/c12-5-1-2-10-7-8-6-9(13)3-4-11(8)14-10/h3-4,6-7H,5H2
InChIKeyURFFEHDGQQZJCL-UHFFFAOYSA-N
XLogP3.68
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.07
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(5-chloro-1-benzofuran-2-yl)but-3-yn-1-ol
CID 114731521
4-(5-chloro-1-benzofuran-2-yl)but-3-yn-2-amine
CID 114731587
5-chloro-2-iodo-1-benzofuran
CID 147151831
5-bromo-2-[2-(5-bromo-1-benzofuran-2-yl)ethynyl]-1-benzofuran
CID 18624240
5-chloro-2-(3-chloro-2-methylpropyl)-1-benzofuran
CID 114733936
(1S)-1-(5-chloro-1-benzofuran-2-yl)propan-1-ol
CID 96826863
1-(5-chloro-1-benzofuran-2-yl)propan-1-one
CID 65425941
3-(bromomethyl)-6-chlorochromen-2-one
CID 122396911
6-chloro-3-hydroxychromen-2-one
CID 15339907
2-(1-bromoethyl)-5-chloro-1-benzofuran
CID 70533490
6-chlorochromen-2-one
CID 16321
1-(5-chloro-1-benzofuran-2-yl)-2-(4-chlorophenyl)ethanol
CID 114726287

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3-chloroprop-1-ynyl)-1-benzofuran?
The IUPAC name of 5-chloro-2-(3-chloroprop-1-ynyl)-1-benzofuran (CID 114731545) is 5-chloro-2-(3-chloroprop-1-ynyl)-1-benzofuran.
What is the SMILES notation for 5-chloro-2-(3-chloroprop-1-ynyl)-1-benzofuran?
The canonical SMILES for 5-chloro-2-(3-chloroprop-1-ynyl)-1-benzofuran is ClCC#Cc1cc2cc(Cl)ccc2o1.
What is the InChIKey of 5-chloro-2-(3-chloroprop-1-ynyl)-1-benzofuran?
The InChIKey is URFFEHDGQQZJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2O/c12-5-1-2-10-7-8-6-9(13)3-4-11(8)14-10/h3-4,6-7H,5H2.
What are the key properties of 5-chloro-2-(3-chloroprop-1-ynyl)-1-benzofuran?
5-chloro-2-(3-chloroprop-1-ynyl)-1-benzofuran has a molecular weight of 225.07 g/mol, XLogP of 3.68, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(3-chloroprop-1-ynyl)-1-benzofuran is sourced from PubChem (CID 114731545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).