4-(2-phenylethynyl)benzaldehyde

C15H10O — CID 609908

IUPAC4-(2-phenylethynyl)benzaldehyde
SMILESO=Cc1ccc(C#Cc2ccccc2)cc1
InChIInChI=1S/C15H10O/c16-12-15-10-8-14(9-11-15)7-6-13-4-2-1-3-5-13/h1-5,8-12H
InChIKeySYCFYQFCFHKYPI-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.90
Rot. Bonds1

About 4-(2-phenylethynyl)benzaldehyde

4-(2-phenylethynyl)benzaldehyde (PubChem CID 609908) has the molecular formula C15H10O and a molecular weight of 206.24 g/mol. Its IUPAC name is 4-(2-phenylethynyl)benzaldehyde.

Molecular Properties

Compound Name4-(2-phenylethynyl)benzaldehyde
PubChem CID609908
Molecular FormulaC15H10O
Molecular Weight206.24 g/mol
Exact Mass206.07
IUPAC Name4-(2-phenylethynyl)benzaldehyde
SMILESO=Cc1ccc(C#Cc2ccccc2)cc1
InChIInChI=1S/C15H10O/c16-12-15-10-8-14(9-11-15)7-6-13-4-2-1-3-5-13/h1-5,8-12H
InChIKeySYCFYQFCFHKYPI-UHFFFAOYSA-N
XLogP2.90
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylethynyl)benzaldehyde?
The IUPAC name of 4-(2-phenylethynyl)benzaldehyde (CID 609908) is 4-(2-phenylethynyl)benzaldehyde.
What is the SMILES notation for 4-(2-phenylethynyl)benzaldehyde?
The canonical SMILES for 4-(2-phenylethynyl)benzaldehyde is O=Cc1ccc(C#Cc2ccccc2)cc1.
What is the InChIKey of 4-(2-phenylethynyl)benzaldehyde?
The InChIKey is SYCFYQFCFHKYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O/c16-12-15-10-8-14(9-11-15)7-6-13-4-2-1-3-5-13/h1-5,8-12H.
What are the key properties of 4-(2-phenylethynyl)benzaldehyde?
4-(2-phenylethynyl)benzaldehyde has a molecular weight of 206.24 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylethynyl)benzaldehyde is sourced from PubChem (CID 609908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).