2,6-diethyl-4-(2-pyridin-2-ylethenyl)phenol

C17H19NO — CID 173388059

IUPAC2,6-diethyl-4-(2-pyridin-2-ylethenyl)phenol
SMILESCCc1cc(C=Cc2ccccn2)cc(CC)c1O
InChIInChI=1S/C17H19NO/c1-3-14-11-13(12-15(4-2)17(14)19)8-9-16-7-5-6-10-18-16/h5-12,19H,3-4H2,1-2H3
InChIKeyKOJOVVCJAXRCQU-UHFFFAOYSA-N
MW253.35 g/mol
LogP4.08
Rot. Bonds4

About 2,6-diethyl-4-(2-pyridin-2-ylethenyl)phenol

2,6-diethyl-4-(2-pyridin-2-ylethenyl)phenol (PubChem CID 173388059) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is 2,6-diethyl-4-(2-pyridin-2-ylethenyl)phenol.

Molecular Properties

Compound Name2,6-diethyl-4-(2-pyridin-2-ylethenyl)phenol
PubChem CID173388059
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name2,6-diethyl-4-(2-pyridin-2-ylethenyl)phenol
SMILESCCc1cc(C=Cc2ccccn2)cc(CC)c1O
InChIInChI=1S/C17H19NO/c1-3-14-11-13(12-15(4-2)17(14)19)8-9-16-7-5-6-10-18-16/h5-12,19H,3-4H2,1-2H3
InChIKeyKOJOVVCJAXRCQU-UHFFFAOYSA-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-(2-pyridin-2-ylethenyl)phenol?
The IUPAC name of 2,6-diethyl-4-(2-pyridin-2-ylethenyl)phenol (CID 173388059) is 2,6-diethyl-4-(2-pyridin-2-ylethenyl)phenol.
What is the SMILES notation for 2,6-diethyl-4-(2-pyridin-2-ylethenyl)phenol?
The canonical SMILES for 2,6-diethyl-4-(2-pyridin-2-ylethenyl)phenol is CCc1cc(C=Cc2ccccn2)cc(CC)c1O.
What is the InChIKey of 2,6-diethyl-4-(2-pyridin-2-ylethenyl)phenol?
The InChIKey is KOJOVVCJAXRCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-3-14-11-13(12-15(4-2)17(14)19)8-9-16-7-5-6-10-18-16/h5-12,19H,3-4H2,1-2H3.
What are the key properties of 2,6-diethyl-4-(2-pyridin-2-ylethenyl)phenol?
2,6-diethyl-4-(2-pyridin-2-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-(2-pyridin-2-ylethenyl)phenol is sourced from PubChem (CID 173388059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).