7-ethynyl-2,3-dihydro-1-benzofuran

C10H8O — CID 114746798

IUPAC7-ethynyl-2,3-dihydro-1-benzofuran
SMILESC#Cc1cccc2c1OCC2
InChIInChI=1S/C10H8O/c1-2-8-4-3-5-9-6-7-11-10(8)9/h1,3-5H,6-7H2
InChIKeyCQVQJEYDMZWKRL-UHFFFAOYSA-N
MW144.17 g/mol
LogP1.60
Rot. Bonds

About 7-ethynyl-2,3-dihydro-1-benzofuran

7-ethynyl-2,3-dihydro-1-benzofuran (PubChem CID 114746798) has the molecular formula C10H8O and a molecular weight of 144.17 g/mol. Its IUPAC name is 7-ethynyl-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name7-ethynyl-2,3-dihydro-1-benzofuran
PubChem CID114746798
Molecular FormulaC10H8O
Molecular Weight144.17 g/mol
Exact Mass144.06
IUPAC Name7-ethynyl-2,3-dihydro-1-benzofuran
SMILESC#Cc1cccc2c1OCC2
InChIInChI=1S/C10H8O/c1-2-8-4-3-5-9-6-7-11-10(8)9/h1,3-5H,6-7H2
InChIKeyCQVQJEYDMZWKRL-UHFFFAOYSA-N
XLogP1.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(2,3-dihydro-1-benzofuran-7-yl)prop-2-ynoic acid
CID 114746810
ethane;7-methyl-2,3-dihydro-1-benzofuran
CID 91503061
2,3-dihydro-1-benzofuran-7-amine;hydrobromide
CID 168986288
2,3-dihydro-1-benzofuran-7-ylhydrazine
CID 12805955
O-(2,3-dihydro-1-benzofuran-7-yl)hydroxylamine
CID 151508721
7-(2,4,4-trimethylpentan-2-yl)-2,3-dihydro-1-benzofuran
CID 173236217
1-(2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 68614116
2,3-dihydro-1-benzofuran-7-carboxylic acid;hydrochloride
CID 70040488
7-(4-methylphenyl)-2,3-dihydro-1-benzofuran
CID 23543625
7-(isocyanatomethyl)-2,3-dihydro-1-benzofuran
CID 117277211
carbanide;chloropalladium(1+);ditert-butyl(2,3-dihydro-1-benzofuran-7-yl)phosphanium
CID 140728178
(2-chlorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanol
CID 114743289

Frequently Asked Questions

What is the IUPAC name of 7-ethynyl-2,3-dihydro-1-benzofuran?
The IUPAC name of 7-ethynyl-2,3-dihydro-1-benzofuran (CID 114746798) is 7-ethynyl-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 7-ethynyl-2,3-dihydro-1-benzofuran?
The canonical SMILES for 7-ethynyl-2,3-dihydro-1-benzofuran is C#Cc1cccc2c1OCC2.
What is the InChIKey of 7-ethynyl-2,3-dihydro-1-benzofuran?
The InChIKey is CQVQJEYDMZWKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O/c1-2-8-4-3-5-9-6-7-11-10(8)9/h1,3-5H,6-7H2.
What are the key properties of 7-ethynyl-2,3-dihydro-1-benzofuran?
7-ethynyl-2,3-dihydro-1-benzofuran has a molecular weight of 144.17 g/mol, XLogP of 1.60, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethynyl-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 114746798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).