7-methoxy-2-oct-1-ynyl-1-benzofuran

C17H20O2 — CID 25096635

IUPAC7-methoxy-2-oct-1-ynyl-1-benzofuran
SMILESCCCCCCC#Cc1cc2cccc(OC)c2o1
InChIInChI=1S/C17H20O2/c1-3-4-5-6-7-8-11-15-13-14-10-9-12-16(18-2)17(14)19-15/h9-10,12-13H,3-7H2,1-2H3
InChIKeyHXKMZOJUXIMUAO-UHFFFAOYSA-N
MW256.34 g/mol
LogP4.76
Rot. Bonds5

About 7-methoxy-2-oct-1-ynyl-1-benzofuran

7-methoxy-2-oct-1-ynyl-1-benzofuran (PubChem CID 25096635) has the molecular formula C17H20O2 and a molecular weight of 256.34 g/mol. Its IUPAC name is 7-methoxy-2-oct-1-ynyl-1-benzofuran.

Molecular Properties

Compound Name7-methoxy-2-oct-1-ynyl-1-benzofuran
PubChem CID25096635
Molecular FormulaC17H20O2
Molecular Weight256.34 g/mol
Exact Mass256.15
IUPAC Name7-methoxy-2-oct-1-ynyl-1-benzofuran
SMILESCCCCCCC#Cc1cc2cccc(OC)c2o1
InChIInChI=1S/C17H20O2/c1-3-4-5-6-7-8-11-15-13-14-10-9-12-16(18-2)17(14)19-15/h9-10,12-13H,3-7H2,1-2H3
InChIKeyHXKMZOJUXIMUAO-UHFFFAOYSA-N
XLogP4.76
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-oct-1-ynyl-1-benzofuran?
The IUPAC name of 7-methoxy-2-oct-1-ynyl-1-benzofuran (CID 25096635) is 7-methoxy-2-oct-1-ynyl-1-benzofuran.
What is the SMILES notation for 7-methoxy-2-oct-1-ynyl-1-benzofuran?
The canonical SMILES for 7-methoxy-2-oct-1-ynyl-1-benzofuran is CCCCCCC#Cc1cc2cccc(OC)c2o1.
What is the InChIKey of 7-methoxy-2-oct-1-ynyl-1-benzofuran?
The InChIKey is HXKMZOJUXIMUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2/c1-3-4-5-6-7-8-11-15-13-14-10-9-12-16(18-2)17(14)19-15/h9-10,12-13H,3-7H2,1-2H3.
What are the key properties of 7-methoxy-2-oct-1-ynyl-1-benzofuran?
7-methoxy-2-oct-1-ynyl-1-benzofuran has a molecular weight of 256.34 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-oct-1-ynyl-1-benzofuran is sourced from PubChem (CID 25096635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).