YZERXOWWOASJDP-UHFFFAOYSA-N

C₁₄H₁₃FO — CID 69045546

About YZERXOWWOASJDP-UHFFFAOYSA-N

YZERXOWWOASJDP-UHFFFAOYSA-N (PubChem CID 69045546) has the molecular formula C₁₄H₁₃FO and a molecular weight of 216.25 g/mol. Its IUPAC name is 4-fluoro-2-methyl-1-(2-methylphenoxy)benzene.

Molecular Properties

• Compound Name: YZERXOWWOASJDP-UHFFFAOYSA-N
• PubChem CID: 69045546
• Molecular Formula: C₁₄H₁₃FO
• Molecular Weight: 216.25 g/mol
• Exact Mass: 216.10
• IUPAC Name: 4-fluoro-2-methyl-1-(2-methylphenoxy)benzene
• SMILES: Cc1ccccc1Oc1ccc(F)cc1C
• InChI: InChI=1S/C14H13FO/c1-10-5-3-4-6-13(10)16-14-8-7-12(15)9-11(14)2/h3-9H,1-2H3
• InChIKey: YZERXOWWOASJDP-UHFFFAOYSA-N
• XLogP: 4.23
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	216.25
LogP ≤ 5	4.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of YZERXOWWOASJDP-UHFFFAOYSA-N?

The IUPAC name of YZERXOWWOASJDP-UHFFFAOYSA-N (CID 69045546) is 4-fluoro-2-methyl-1-(2-methylphenoxy)benzene.

What is the SMILES notation for YZERXOWWOASJDP-UHFFFAOYSA-N?

The canonical SMILES for YZERXOWWOASJDP-UHFFFAOYSA-N is Cc1ccccc1Oc1ccc(F)cc1C.

What is the InChIKey of YZERXOWWOASJDP-UHFFFAOYSA-N?

The InChIKey is YZERXOWWOASJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FO/c1-10-5-3-4-6-13(10)16-14-8-7-12(15)9-11(14)2/h3-9H,1-2H3.

What are the key properties of YZERXOWWOASJDP-UHFFFAOYSA-N?

YZERXOWWOASJDP-UHFFFAOYSA-N has a molecular weight of 216.25 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for YZERXOWWOASJDP-UHFFFAOYSA-N is sourced from PubChem (CID 69045546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 69045546 — identifiers, structure, computed properties (public domain)

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