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

C23H31NO — CID 14416584

IUPAC2,6-bis(2-methylbutan-2-yl)-4-[(E)-2-pyridin-3-ylethenyl]phenol
SMILESCCC(C)(C)c1cc(/C=C/c2cccnc2)cc(C(C)(C)CC)c1O
InChIInChI=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+
InChIKeyYCCDUTQGSUSILQ-VAWYXSNFSA-N
MW337.51 g/mol
LogP6.33
Rot. Bonds6

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 Name2,6-bis(2-methylbutan-2-yl)-4-[(E)-2-pyridin-3-ylethenyl]phenol
PubChem CID14416584
Molecular FormulaC23H31NO
Molecular Weight337.51 g/mol
Exact Mass337.24
IUPAC Name2,6-bis(2-methylbutan-2-yl)-4-[(E)-2-pyridin-3-ylethenyl]phenol
SMILESCCC(C)(C)c1cc(/C=C/c2cccnc2)cc(C(C)(C)CC)c1O
InChIInChI=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+
InChIKeyYCCDUTQGSUSILQ-VAWYXSNFSA-N
XLogP6.33
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.51
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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).