2,6-di(propan-2-yl)-4-[(E)-2-pyridin-3-ylethenyl]phenol

C19H23NO — CID 14416585

IUPAC2,6-di(propan-2-yl)-4-[(E)-2-pyridin-3-ylethenyl]phenol
SMILESCC(C)c1cc(/C=C/c2cccnc2)cc(C(C)C)c1O
InChIInChI=1S/C19H23NO/c1-13(2)17-10-16(11-18(14(3)4)19(17)21)8-7-15-6-5-9-20-12-15/h5-14,21H,1-4H3/b8-7+
InChIKeyHROSMMTTXLTWAH-BQYQJAHWSA-N
MW281.40 g/mol
LogP5.20
Rot. Bonds4

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

2,6-di(propan-2-yl)-4-[(E)-2-pyridin-3-ylethenyl]phenol (PubChem CID 14416585) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 2,6-di(propan-2-yl)-4-[(E)-2-pyridin-3-ylethenyl]phenol.

Molecular Properties

Compound Name2,6-di(propan-2-yl)-4-[(E)-2-pyridin-3-ylethenyl]phenol
PubChem CID14416585
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name2,6-di(propan-2-yl)-4-[(E)-2-pyridin-3-ylethenyl]phenol
SMILESCC(C)c1cc(/C=C/c2cccnc2)cc(C(C)C)c1O
InChIInChI=1S/C19H23NO/c1-13(2)17-10-16(11-18(14(3)4)19(17)21)8-7-15-6-5-9-20-12-15/h5-14,21H,1-4H3/b8-7+
InChIKeyHROSMMTTXLTWAH-BQYQJAHWSA-N
XLogP5.20
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.40
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-di(propan-2-yl)-4-[(E)-2-pyridin-3-ylethenyl]phenol?
The IUPAC name of 2,6-di(propan-2-yl)-4-[(E)-2-pyridin-3-ylethenyl]phenol (CID 14416585) is 2,6-di(propan-2-yl)-4-[(E)-2-pyridin-3-ylethenyl]phenol.
What is the SMILES notation for 2,6-di(propan-2-yl)-4-[(E)-2-pyridin-3-ylethenyl]phenol?
The canonical SMILES for 2,6-di(propan-2-yl)-4-[(E)-2-pyridin-3-ylethenyl]phenol is CC(C)c1cc(/C=C/c2cccnc2)cc(C(C)C)c1O.
What is the InChIKey of 2,6-di(propan-2-yl)-4-[(E)-2-pyridin-3-ylethenyl]phenol?
The InChIKey is HROSMMTTXLTWAH-BQYQJAHWSA-N. The full InChI is InChI=1S/C19H23NO/c1-13(2)17-10-16(11-18(14(3)4)19(17)21)8-7-15-6-5-9-20-12-15/h5-14,21H,1-4H3/b8-7+.
What are the key properties of 2,6-di(propan-2-yl)-4-[(E)-2-pyridin-3-ylethenyl]phenol?
2,6-di(propan-2-yl)-4-[(E)-2-pyridin-3-ylethenyl]phenol has a molecular weight of 281.40 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-di(propan-2-yl)-4-[(E)-2-pyridin-3-ylethenyl]phenol is sourced from PubChem (CID 14416585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).