2,6-diethyl-4-[(E)-2-pyridin-3-ylethenyl]phenol

C17H19NO — CID 14771898

IUPAC2,6-diethyl-4-[(E)-2-pyridin-3-ylethenyl]phenol
SMILESCCc1cc(/C=C/c2cccnc2)cc(CC)c1O
InChIInChI=1S/C17H19NO/c1-3-15-10-14(11-16(4-2)17(15)19)8-7-13-6-5-9-18-12-13/h5-12,19H,3-4H2,1-2H3/b8-7+
InChIKeySSXFUTUTJFLZGE-BQYQJAHWSA-N
MW253.35 g/mol
LogP4.08
Rot. Bonds4

About 2,6-diethyl-4-[(E)-2-pyridin-3-ylethenyl]phenol

2,6-diethyl-4-[(E)-2-pyridin-3-ylethenyl]phenol (PubChem CID 14771898) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is 2,6-diethyl-4-[(E)-2-pyridin-3-ylethenyl]phenol.

Molecular Properties

Compound Name2,6-diethyl-4-[(E)-2-pyridin-3-ylethenyl]phenol
PubChem CID14771898
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name2,6-diethyl-4-[(E)-2-pyridin-3-ylethenyl]phenol
SMILESCCc1cc(/C=C/c2cccnc2)cc(CC)c1O
InChIInChI=1S/C17H19NO/c1-3-15-10-14(11-16(4-2)17(15)19)8-7-13-6-5-9-18-12-13/h5-12,19H,3-4H2,1-2H3/b8-7+
InChIKeySSXFUTUTJFLZGE-BQYQJAHWSA-N
XLogP4.08
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-diethyl-4-[(E)-2-pyridin-3-ylethenyl]phenol?
The IUPAC name of 2,6-diethyl-4-[(E)-2-pyridin-3-ylethenyl]phenol (CID 14771898) is 2,6-diethyl-4-[(E)-2-pyridin-3-ylethenyl]phenol.
What is the SMILES notation for 2,6-diethyl-4-[(E)-2-pyridin-3-ylethenyl]phenol?
The canonical SMILES for 2,6-diethyl-4-[(E)-2-pyridin-3-ylethenyl]phenol is CCc1cc(/C=C/c2cccnc2)cc(CC)c1O.
What is the InChIKey of 2,6-diethyl-4-[(E)-2-pyridin-3-ylethenyl]phenol?
The InChIKey is SSXFUTUTJFLZGE-BQYQJAHWSA-N. The full InChI is InChI=1S/C17H19NO/c1-3-15-10-14(11-16(4-2)17(15)19)8-7-13-6-5-9-18-12-13/h5-12,19H,3-4H2,1-2H3/b8-7+.
What are the key properties of 2,6-diethyl-4-[(E)-2-pyridin-3-ylethenyl]phenol?
2,6-diethyl-4-[(E)-2-pyridin-3-ylethenyl]phenol has a molecular weight of 253.35 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diethyl-4-[(E)-2-pyridin-3-ylethenyl]phenol is sourced from PubChem (CID 14771898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).