4-(4-methoxyphenyl)-1-pyrazin-2-ylbut-3-en-2-ol

C15H16N2O2 — CID 54431996

IUPAC4-(4-methoxyphenyl)-1-pyrazin-2-ylbut-3-en-2-ol
SMILESCOc1ccc(C=CC(O)Cc2cnccn2)cc1
InChIInChI=1S/C15H16N2O2/c1-19-15-6-3-12(4-7-15)2-5-14(18)10-13-11-16-8-9-17-13/h2-9,11,14,18H,10H2,1H3
InChIKeyWICOFLYZVAMDAB-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.10
Rot. Bonds5

About 4-(4-methoxyphenyl)-1-pyrazin-2-ylbut-3-en-2-ol

4-(4-methoxyphenyl)-1-pyrazin-2-ylbut-3-en-2-ol (PubChem CID 54431996) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-1-pyrazin-2-ylbut-3-en-2-ol.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-1-pyrazin-2-ylbut-3-en-2-ol
PubChem CID54431996
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name4-(4-methoxyphenyl)-1-pyrazin-2-ylbut-3-en-2-ol
SMILESCOc1ccc(C=CC(O)Cc2cnccn2)cc1
InChIInChI=1S/C15H16N2O2/c1-19-15-6-3-12(4-7-15)2-5-14(18)10-13-11-16-8-9-17-13/h2-9,11,14,18H,10H2,1H3
InChIKeyWICOFLYZVAMDAB-UHFFFAOYSA-N
XLogP2.10
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-1-pyrazin-2-ylbut-3-en-2-ol?
The IUPAC name of 4-(4-methoxyphenyl)-1-pyrazin-2-ylbut-3-en-2-ol (CID 54431996) is 4-(4-methoxyphenyl)-1-pyrazin-2-ylbut-3-en-2-ol.
What is the SMILES notation for 4-(4-methoxyphenyl)-1-pyrazin-2-ylbut-3-en-2-ol?
The canonical SMILES for 4-(4-methoxyphenyl)-1-pyrazin-2-ylbut-3-en-2-ol is COc1ccc(C=CC(O)Cc2cnccn2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-1-pyrazin-2-ylbut-3-en-2-ol?
The InChIKey is WICOFLYZVAMDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-19-15-6-3-12(4-7-15)2-5-14(18)10-13-11-16-8-9-17-13/h2-9,11,14,18H,10H2,1H3.
What are the key properties of 4-(4-methoxyphenyl)-1-pyrazin-2-ylbut-3-en-2-ol?
4-(4-methoxyphenyl)-1-pyrazin-2-ylbut-3-en-2-ol has a molecular weight of 256.31 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-1-pyrazin-2-ylbut-3-en-2-ol is sourced from PubChem (CID 54431996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).