2-[2-(furan-2-yl)ethynyl]benzaldehyde

C13H8O2 — CID 10821708

IUPAC2-[2-(furan-2-yl)ethynyl]benzaldehyde
SMILESO=Cc1ccccc1C#Cc1ccco1
InChIInChI=1S/C13H8O2/c14-10-12-5-2-1-4-11(12)7-8-13-6-3-9-15-13/h1-6,9-10H
InChIKeyZQAFLMNRHHORTP-UHFFFAOYSA-N
MW196.20 g/mol
LogP2.49
Rot. Bonds1

About 2-[2-(furan-2-yl)ethynyl]benzaldehyde

2-[2-(furan-2-yl)ethynyl]benzaldehyde (PubChem CID 10821708) has the molecular formula C13H8O2 and a molecular weight of 196.20 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)ethynyl]benzaldehyde.

Molecular Properties

Compound Name2-[2-(furan-2-yl)ethynyl]benzaldehyde
PubChem CID10821708
Molecular FormulaC13H8O2
Molecular Weight196.20 g/mol
Exact Mass196.05
IUPAC Name2-[2-(furan-2-yl)ethynyl]benzaldehyde
SMILESO=Cc1ccccc1C#Cc1ccco1
InChIInChI=1S/C13H8O2/c14-10-12-5-2-1-4-11(12)7-8-13-6-3-9-15-13/h1-6,9-10H
InChIKeyZQAFLMNRHHORTP-UHFFFAOYSA-N
XLogP2.49
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-methoxyphenyl)ethynyl]benzaldehyde
CID 25215814
2-(2-thiophen-3-ylethynyl)benzaldehyde
CID 125484862
2-(2-pyridin-3-ylethynyl)benzaldehyde
CID 163461289
2-ethynylbenzaldehyde;toluene
CID 174766357
2-[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethynyl]benzaldehyde
CID 11100219
3-(furan-2-yl)prop-2-ynenitrile
CID 12540466
2-(3-methylbut-1-ynyl)furan
CID 59202131
[4-(2-formylphenyl)-2-methylbut-3-yn-2-yl] acetate
CID 102032203
furan-2-carbaldehyde
CID 76972982
CID 177435780
CID 177435780
2-(furan-2-ylmethylsulfanyl)benzaldehyde
CID 63803722
1-(furan-2-yl)pent-1-yn-3-amine
CID 106225778

Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-yl)ethynyl]benzaldehyde?
The IUPAC name of 2-[2-(furan-2-yl)ethynyl]benzaldehyde (CID 10821708) is 2-[2-(furan-2-yl)ethynyl]benzaldehyde.
What is the SMILES notation for 2-[2-(furan-2-yl)ethynyl]benzaldehyde?
The canonical SMILES for 2-[2-(furan-2-yl)ethynyl]benzaldehyde is O=Cc1ccccc1C#Cc1ccco1.
What is the InChIKey of 2-[2-(furan-2-yl)ethynyl]benzaldehyde?
The InChIKey is ZQAFLMNRHHORTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8O2/c14-10-12-5-2-1-4-11(12)7-8-13-6-3-9-15-13/h1-6,9-10H.
What are the key properties of 2-[2-(furan-2-yl)ethynyl]benzaldehyde?
2-[2-(furan-2-yl)ethynyl]benzaldehyde has a molecular weight of 196.20 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-yl)ethynyl]benzaldehyde is sourced from PubChem (CID 10821708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).