7-chloro-5-ethynyl-2-methyl-1-benzofuran

C11H7ClO — CID 144817064

IUPAC7-chloro-5-ethynyl-2-methyl-1-benzofuran
SMILESC#Cc1cc(Cl)c2oc(C)cc2c1
InChIInChI=1S/C11H7ClO/c1-3-8-5-9-4-7(2)13-11(9)10(12)6-8/h1,4-6H,2H3
InChIKeyREOGFXVOKRZANF-UHFFFAOYSA-N
MW190.63 g/mol
LogP3.38
Rot. Bonds

About 7-chloro-5-ethynyl-2-methyl-1-benzofuran

7-chloro-5-ethynyl-2-methyl-1-benzofuran (PubChem CID 144817064) has the molecular formula C11H7ClO and a molecular weight of 190.63 g/mol. Its IUPAC name is 7-chloro-5-ethynyl-2-methyl-1-benzofuran.

Molecular Properties

Compound Name7-chloro-5-ethynyl-2-methyl-1-benzofuran
PubChem CID144817064
Molecular FormulaC11H7ClO
Molecular Weight190.63 g/mol
Exact Mass190.02
IUPAC Name7-chloro-5-ethynyl-2-methyl-1-benzofuran
SMILESC#Cc1cc(Cl)c2oc(C)cc2c1
InChIInChI=1S/C11H7ClO/c1-3-8-5-9-4-7(2)13-11(9)10(12)6-8/h1,4-6H,2H3
InChIKeyREOGFXVOKRZANF-UHFFFAOYSA-N
XLogP3.38
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.63
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-ethynyl-2-methyl-1-benzofuran?
The IUPAC name of 7-chloro-5-ethynyl-2-methyl-1-benzofuran (CID 144817064) is 7-chloro-5-ethynyl-2-methyl-1-benzofuran.
What is the SMILES notation for 7-chloro-5-ethynyl-2-methyl-1-benzofuran?
The canonical SMILES for 7-chloro-5-ethynyl-2-methyl-1-benzofuran is C#Cc1cc(Cl)c2oc(C)cc2c1.
What is the InChIKey of 7-chloro-5-ethynyl-2-methyl-1-benzofuran?
The InChIKey is REOGFXVOKRZANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClO/c1-3-8-5-9-4-7(2)13-11(9)10(12)6-8/h1,4-6H,2H3.
What are the key properties of 7-chloro-5-ethynyl-2-methyl-1-benzofuran?
7-chloro-5-ethynyl-2-methyl-1-benzofuran has a molecular weight of 190.63 g/mol, XLogP of 3.38, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-ethynyl-2-methyl-1-benzofuran is sourced from PubChem (CID 144817064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).