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

C15H15NO — CID 14771899

IUPAC2,6-dimethyl-4-[(E)-2-pyridin-3-ylethenyl]phenol
SMILESCc1cc(/C=C/c2cccnc2)cc(C)c1O
InChIInChI=1S/C15H15NO/c1-11-8-14(9-12(2)15(11)17)6-5-13-4-3-7-16-10-13/h3-10,17H,1-2H3/b6-5+
InChIKeyOXVGPNSHQAHDRW-AATRIKPKSA-N
MW225.29 g/mol
LogP3.57
Rot. Bonds2

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

2,6-dimethyl-4-[(E)-2-pyridin-3-ylethenyl]phenol (PubChem CID 14771899) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 2,6-dimethyl-4-[(E)-2-pyridin-3-ylethenyl]phenol.

Molecular Properties

Compound Name2,6-dimethyl-4-[(E)-2-pyridin-3-ylethenyl]phenol
PubChem CID14771899
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name2,6-dimethyl-4-[(E)-2-pyridin-3-ylethenyl]phenol
SMILESCc1cc(/C=C/c2cccnc2)cc(C)c1O
InChIInChI=1S/C15H15NO/c1-11-8-14(9-12(2)15(11)17)6-5-13-4-3-7-16-10-13/h3-10,17H,1-2H3/b6-5+
InChIKeyOXVGPNSHQAHDRW-AATRIKPKSA-N
XLogP3.57
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[(E)-2-pyridin-3-ylethenyl]phenol?
The IUPAC name of 2,6-dimethyl-4-[(E)-2-pyridin-3-ylethenyl]phenol (CID 14771899) is 2,6-dimethyl-4-[(E)-2-pyridin-3-ylethenyl]phenol.
What is the SMILES notation for 2,6-dimethyl-4-[(E)-2-pyridin-3-ylethenyl]phenol?
The canonical SMILES for 2,6-dimethyl-4-[(E)-2-pyridin-3-ylethenyl]phenol is Cc1cc(/C=C/c2cccnc2)cc(C)c1O.
What is the InChIKey of 2,6-dimethyl-4-[(E)-2-pyridin-3-ylethenyl]phenol?
The InChIKey is OXVGPNSHQAHDRW-AATRIKPKSA-N. The full InChI is InChI=1S/C15H15NO/c1-11-8-14(9-12(2)15(11)17)6-5-13-4-3-7-16-10-13/h3-10,17H,1-2H3/b6-5+.
What are the key properties of 2,6-dimethyl-4-[(E)-2-pyridin-3-ylethenyl]phenol?
2,6-dimethyl-4-[(E)-2-pyridin-3-ylethenyl]phenol has a molecular weight of 225.29 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[(E)-2-pyridin-3-ylethenyl]phenol is sourced from PubChem (CID 14771899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).