2,6-bis(2-methylbutan-2-yl)-4-[(E)-2-pyridin-3-ylethenyl]phenol

C₂₃H₃₁NO — CID 14416584

About 2,6-bis(2-methylbutan-2-yl)-4-[(E)-2-pyridin-3-ylethenyl]phenol

2,6-bis(2-methylbutan-2-yl)-4-[(E)-2-pyridin-3-ylethenyl]phenol (PubChem CID 14416584) has the molecular formula C₂₃H₃₁NO and a molecular weight of 337.51 g/mol. Its IUPAC name is 2,6-bis(2-methylbutan-2-yl)-4-[(E)-2-pyridin-3-ylethenyl]phenol.

Molecular Properties

• Compound Name: 2,6-bis(2-methylbutan-2-yl)-4-[(E)-2-pyridin-3-ylethenyl]phenol
• PubChem CID: 14416584
• Molecular Formula: C₂₃H₃₁NO
• Molecular Weight: 337.51 g/mol
• Exact Mass: 337.24
• IUPAC Name: 2,6-bis(2-methylbutan-2-yl)-4-[(E)-2-pyridin-3-ylethenyl]phenol
• SMILES: CCC(C)(C)c1cc(/C=C/c2cccnc2)cc(C(C)(C)CC)c1O
• InChI: InChI=1S/C23H31NO/c1-7-22(3,4)19-14-18(12-11-17-10-9-13-24-16-17)15-20(21(19)25)23(5,6)8-2/h9-16,25H,7-8H2,1-6H3/b12-11+
• InChIKey: YCCDUTQGSUSILQ-VAWYXSNFSA-N
• XLogP: 6.33
• TPSA: 33.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	337.51
LogP ≤ 5	6.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(2-methylbutan-2-yl)-4-[(E)-2-pyridin-3-ylethenyl]phenol?

The IUPAC name of 2,6-bis(2-methylbutan-2-yl)-4-[(E)-2-pyridin-3-ylethenyl]phenol (CID 14416584) is 2,6-bis(2-methylbutan-2-yl)-4-[(E)-2-pyridin-3-ylethenyl]phenol.

What is the SMILES notation for 2,6-bis(2-methylbutan-2-yl)-4-[(E)-2-pyridin-3-ylethenyl]phenol?

The canonical SMILES for 2,6-bis(2-methylbutan-2-yl)-4-[(E)-2-pyridin-3-ylethenyl]phenol is CCC(C)(C)c1cc(/C=C/c2cccnc2)cc(C(C)(C)CC)c1O.

What is the InChIKey of 2,6-bis(2-methylbutan-2-yl)-4-[(E)-2-pyridin-3-ylethenyl]phenol?

The InChIKey is YCCDUTQGSUSILQ-VAWYXSNFSA-N. The full InChI is InChI=1S/C23H31NO/c1-7-22(3,4)19-14-18(12-11-17-10-9-13-24-16-17)15-20(21(19)25)23(5,6)8-2/h9-16,25H,7-8H2,1-6H3/b12-11+.

What are the key properties of 2,6-bis(2-methylbutan-2-yl)-4-[(E)-2-pyridin-3-ylethenyl]phenol?

2,6-bis(2-methylbutan-2-yl)-4-[(E)-2-pyridin-3-ylethenyl]phenol has a molecular weight of 337.51 g/mol, XLogP of 6.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-bis(2-methylbutan-2-yl)-4-[(E)-2-pyridin-3-ylethenyl]phenol is sourced from PubChem (CID 14416584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 14416584 — identifiers, structure, computed properties (public domain)

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