7-prop-2-ynoxy-1-benzofuran

C11H8O2 — CID 135362386

IUPAC7-prop-2-ynoxy-1-benzofuran
SMILESC#CCOc1cccc2ccoc12
InChIInChI=1S/C11H8O2/c1-2-7-12-10-5-3-4-9-6-8-13-11(9)10/h1,3-6,8H,7H2
InChIKeyDNDWRQHLIVWZFW-UHFFFAOYSA-N
MW172.18 g/mol
LogP2.44
Rot. Bonds2

About 7-prop-2-ynoxy-1-benzofuran

7-prop-2-ynoxy-1-benzofuran (PubChem CID 135362386) has the molecular formula C11H8O2 and a molecular weight of 172.18 g/mol. Its IUPAC name is 7-prop-2-ynoxy-1-benzofuran.

Molecular Properties

Compound Name7-prop-2-ynoxy-1-benzofuran
PubChem CID135362386
Molecular FormulaC11H8O2
Molecular Weight172.18 g/mol
Exact Mass172.05
IUPAC Name7-prop-2-ynoxy-1-benzofuran
SMILESC#CCOc1cccc2ccoc12
InChIInChI=1S/C11H8O2/c1-2-7-12-10-5-3-4-9-6-8-13-11(9)10/h1,3-6,8H,7H2
InChIKeyDNDWRQHLIVWZFW-UHFFFAOYSA-N
XLogP2.44
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-prop-2-ynoxy-1-benzofuran?
The IUPAC name of 7-prop-2-ynoxy-1-benzofuran (CID 135362386) is 7-prop-2-ynoxy-1-benzofuran.
What is the SMILES notation for 7-prop-2-ynoxy-1-benzofuran?
The canonical SMILES for 7-prop-2-ynoxy-1-benzofuran is C#CCOc1cccc2ccoc12.
What is the InChIKey of 7-prop-2-ynoxy-1-benzofuran?
The InChIKey is DNDWRQHLIVWZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O2/c1-2-7-12-10-5-3-4-9-6-8-13-11(9)10/h1,3-6,8H,7H2.
What are the key properties of 7-prop-2-ynoxy-1-benzofuran?
7-prop-2-ynoxy-1-benzofuran has a molecular weight of 172.18 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-prop-2-ynoxy-1-benzofuran is sourced from PubChem (CID 135362386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).