1-Ethynyl-4-phenoxybenzene

• CAS: 4200-06-0
• Catalog Number: ACM4200060
• Category: Alkynes
• Molecular Weight: 194.23
• Molecular Formula: C₁₃H₁₀O
• Synonyms: 1-Ethynyl-4-phenoxybenzene, 4-Phenoxyphenyl acetylene, 4200-06-0, F2108-0336, 521213_ALDRICH, MolPort-002-499-630, ANW-54700, ZINC02513051, AKOS005208482, AG-A-19974, MCULE-3693807635, AK-35113, KB-40231, FT-0635179
• IUPAC Name: 1-ethynyl-4-phenoxybenzene
• Canonical SMILES: C#CC1=CC=C(C=C1)OC2=CC=CC=C2
• InChI Key: LKMNQDOAPYPSNH-UHFFFAOYSA-N
• Boiling Point: 285.1ºC at 760mmHg
• Flash Point: 121ºC
• Density: 1.11g/cm³
• Exact Mass: 194.07300
• Hazard Statements: H318-H413
• H-Bond Acceptor: 1
• H-Bond Donor: 0
• RIDADR: NONH for all modes of transport
• Safety Description: 26-36
• Symbol: GHS05

Custom Q&A

What is the IUPAC name of the compound?

The IUPAC name of the compound is 1-ethynyl-4-phenoxybenzene.

What is the molecular formula of the compound?

The molecular formula of the compound is C14H10O.

What is the molecular weight of the compound?

The molecular weight of the compound is 194.23 g/mol.

What is the CAS number of the compound?

The CAS number of the compound is 4200-06-0.

How many hydrogen bond donor counts does the compound have?

The compound has 0 hydrogen bond donor counts.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value of the compound is 3.7.

What is the topological polar surface area of the compound?

The topological polar surface area of the compound is 9.2Ų.

How many rotatable bond counts does the compound have?

The compound has 3 rotatable bond counts.

Is the compound canonicalized?

Yes, the compound is canonicalized.

What is the InChIKey of the compound?

The InChIKey of the compound is LKMNQDOAPYPSNH-UHFFFAOYSA-N.