2-[3-(5-methylpyrazin-2-yl)oxyphenyl]propan-2-ol

C14H16N2O2 — CID 177219464

IUPAC2-[3-(5-methylpyrazin-2-yl)oxyphenyl]propan-2-ol
SMILESCc1cnc(Oc2cccc(C(C)(C)O)c2)cn1
InChIInChI=1S/C14H16N2O2/c1-10-8-16-13(9-15-10)18-12-6-4-5-11(7-12)14(2,3)17/h4-9,17H,1-3H3
InChIKeyFQXZSOQFRPBILI-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.80
Rot. Bonds3

About 2-[3-(5-methylpyrazin-2-yl)oxyphenyl]propan-2-ol

2-[3-(5-methylpyrazin-2-yl)oxyphenyl]propan-2-ol (PubChem CID 177219464) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-[3-(5-methylpyrazin-2-yl)oxyphenyl]propan-2-ol.

Molecular Properties

Compound Name2-[3-(5-methylpyrazin-2-yl)oxyphenyl]propan-2-ol
PubChem CID177219464
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2-[3-(5-methylpyrazin-2-yl)oxyphenyl]propan-2-ol
SMILESCc1cnc(Oc2cccc(C(C)(C)O)c2)cn1
InChIInChI=1S/C14H16N2O2/c1-10-8-16-13(9-15-10)18-12-6-4-5-11(7-12)14(2,3)17/h4-9,17H,1-3H3
InChIKeyFQXZSOQFRPBILI-UHFFFAOYSA-N
XLogP2.80
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-methylpyrazin-2-yl)oxyphenyl]propan-2-ol?
The IUPAC name of 2-[3-(5-methylpyrazin-2-yl)oxyphenyl]propan-2-ol (CID 177219464) is 2-[3-(5-methylpyrazin-2-yl)oxyphenyl]propan-2-ol.
What is the SMILES notation for 2-[3-(5-methylpyrazin-2-yl)oxyphenyl]propan-2-ol?
The canonical SMILES for 2-[3-(5-methylpyrazin-2-yl)oxyphenyl]propan-2-ol is Cc1cnc(Oc2cccc(C(C)(C)O)c2)cn1.
What is the InChIKey of 2-[3-(5-methylpyrazin-2-yl)oxyphenyl]propan-2-ol?
The InChIKey is FQXZSOQFRPBILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-10-8-16-13(9-15-10)18-12-6-4-5-11(7-12)14(2,3)17/h4-9,17H,1-3H3.
What are the key properties of 2-[3-(5-methylpyrazin-2-yl)oxyphenyl]propan-2-ol?
2-[3-(5-methylpyrazin-2-yl)oxyphenyl]propan-2-ol has a molecular weight of 244.29 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-methylpyrazin-2-yl)oxyphenyl]propan-2-ol is sourced from PubChem (CID 177219464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).