4-prop-2-enyl-2-(7-prop-2-enyl-1,2-benzoxazol-5-yl)phenol

C₁₉H₁₇NO₂ — CID 155528105

About 4-prop-2-enyl-2-(7-prop-2-enyl-1,2-benzoxazol-5-yl)phenol

4-prop-2-enyl-2-(7-prop-2-enyl-1,2-benzoxazol-5-yl)phenol (PubChem CID 155528105) has the molecular formula C₁₉H₁₇NO₂ and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-prop-2-enyl-2-(7-prop-2-enyl-1,2-benzoxazol-5-yl)phenol.

Molecular Properties

• Compound Name: 4-prop-2-enyl-2-(7-prop-2-enyl-1,2-benzoxazol-5-yl)phenol
• PubChem CID: 155528105
• Molecular Formula: C₁₉H₁₇NO₂
• Molecular Weight: 291.35 g/mol
• Exact Mass: 291.13
• IUPAC Name: 4-prop-2-enyl-2-(7-prop-2-enyl-1,2-benzoxazol-5-yl)phenol
• SMILES: C=CCc1ccc(O)c(-c2cc(CC=C)c3oncc3c2)c1
• InChI: InChI=1S/C19H17NO2/c1-3-5-13-7-8-18(21)17(9-13)15-10-14(6-4-2)19-16(11-15)12-20-22-19/h3-4,7-12,21H,1-2,5-6H2
• InChIKey: KCXBXAVBGVFVLU-UHFFFAOYSA-N
• XLogP: 4.66
• TPSA: 46.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	291.35
LogP ≤ 5	4.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enyl-2-(7-prop-2-enyl-1,2-benzoxazol-5-yl)phenol?

The IUPAC name of 4-prop-2-enyl-2-(7-prop-2-enyl-1,2-benzoxazol-5-yl)phenol (CID 155528105) is 4-prop-2-enyl-2-(7-prop-2-enyl-1,2-benzoxazol-5-yl)phenol.

What is the SMILES notation for 4-prop-2-enyl-2-(7-prop-2-enyl-1,2-benzoxazol-5-yl)phenol?

The canonical SMILES for 4-prop-2-enyl-2-(7-prop-2-enyl-1,2-benzoxazol-5-yl)phenol is C=CCc1ccc(O)c(-c2cc(CC=C)c3oncc3c2)c1.

What is the InChIKey of 4-prop-2-enyl-2-(7-prop-2-enyl-1,2-benzoxazol-5-yl)phenol?

The InChIKey is KCXBXAVBGVFVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2/c1-3-5-13-7-8-18(21)17(9-13)15-10-14(6-4-2)19-16(11-15)12-20-22-19/h3-4,7-12,21H,1-2,5-6H2.

What are the key properties of 4-prop-2-enyl-2-(7-prop-2-enyl-1,2-benzoxazol-5-yl)phenol?

4-prop-2-enyl-2-(7-prop-2-enyl-1,2-benzoxazol-5-yl)phenol has a molecular weight of 291.35 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-prop-2-enyl-2-(7-prop-2-enyl-1,2-benzoxazol-5-yl)phenol is sourced from PubChem (CID 155528105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155528105 — identifiers, structure, computed properties (public domain)

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