IUSVDHGPOPOTHA-UHFFFAOYSA-N

C₁₄H₁₂O₃ — CID 13066661

About IUSVDHGPOPOTHA-UHFFFAOYSA-N

IUSVDHGPOPOTHA-UHFFFAOYSA-N (PubChem CID 13066661) has the molecular formula C₁₄H₁₂O₃ and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-hydroxy-3-(2-methylphenoxy)benzaldehyde.

Molecular Properties

• Compound Name: IUSVDHGPOPOTHA-UHFFFAOYSA-N
• PubChem CID: 13066661
• Molecular Formula: C₁₄H₁₂O₃
• Molecular Weight: 228.25 g/mol
• Exact Mass: 228.08
• IUPAC Name: 2-hydroxy-3-(2-methylphenoxy)benzaldehyde
• SMILES: Cc1ccccc1Oc1cccc(C=O)c1O
• InChI: InChI=1S/C14H12O3/c1-10-5-2-3-7-12(10)17-13-8-4-6-11(9-15)14(13)16/h2-9,16H,1H3
• InChIKey: IUSVDHGPOPOTHA-UHFFFAOYSA-N
• XLogP: 3.31
• TPSA: 46.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	228.25
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of IUSVDHGPOPOTHA-UHFFFAOYSA-N (CID 13066661) is 2-hydroxy-3-(2-methylphenoxy)benzaldehyde.

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

The canonical SMILES for IUSVDHGPOPOTHA-UHFFFAOYSA-N is Cc1ccccc1Oc1cccc(C=O)c1O.

What is the InChIKey of IUSVDHGPOPOTHA-UHFFFAOYSA-N?

The InChIKey is IUSVDHGPOPOTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3/c1-10-5-2-3-7-12(10)17-13-8-4-6-11(9-15)14(13)16/h2-9,16H,1H3.

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

IUSVDHGPOPOTHA-UHFFFAOYSA-N has a molecular weight of 228.25 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for IUSVDHGPOPOTHA-UHFFFAOYSA-N is sourced from PubChem (CID 13066661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 13066661 — identifiers, structure, computed properties (public domain)

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