1-(2,3-dibutyl-4-methoxyphenyl)-4-pyrazin-2-ylbutan-1-ol

C23H34N2O2 — CID 142686363

IUPAC1-(2,3-dibutyl-4-methoxyphenyl)-4-pyrazin-2-ylbutan-1-ol
SMILESCCCCc1c(OC)ccc(C(O)CCCc2cnccn2)c1CCCC
InChIInChI=1S/C23H34N2O2/c1-4-6-10-19-20(13-14-23(27-3)21(19)11-7-5-2)22(26)12-8-9-18-17-24-15-16-25-18/h13-17,22,26H,4-12H2,1-3H3
InChIKeyVWCBYFMZMCCPPD-UHFFFAOYSA-N
MW370.54 g/mol
LogP5.23
Rot. Bonds12

About 1-(2,3-dibutyl-4-methoxyphenyl)-4-pyrazin-2-ylbutan-1-ol

1-(2,3-dibutyl-4-methoxyphenyl)-4-pyrazin-2-ylbutan-1-ol (PubChem CID 142686363) has the molecular formula C23H34N2O2 and a molecular weight of 370.54 g/mol. Its IUPAC name is 1-(2,3-dibutyl-4-methoxyphenyl)-4-pyrazin-2-ylbutan-1-ol.

Molecular Properties

Compound Name1-(2,3-dibutyl-4-methoxyphenyl)-4-pyrazin-2-ylbutan-1-ol
PubChem CID142686363
Molecular FormulaC23H34N2O2
Molecular Weight370.54 g/mol
Exact Mass370.26
IUPAC Name1-(2,3-dibutyl-4-methoxyphenyl)-4-pyrazin-2-ylbutan-1-ol
SMILESCCCCc1c(OC)ccc(C(O)CCCc2cnccn2)c1CCCC
InChIInChI=1S/C23H34N2O2/c1-4-6-10-19-20(13-14-23(27-3)21(19)11-7-5-2)22(26)12-8-9-18-17-24-15-16-25-18/h13-17,22,26H,4-12H2,1-3H3
InChIKeyVWCBYFMZMCCPPD-UHFFFAOYSA-N
XLogP5.23
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.54
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dibutyl-4-methoxyphenyl)-4-pyrazin-2-ylbutan-1-ol?
The IUPAC name of 1-(2,3-dibutyl-4-methoxyphenyl)-4-pyrazin-2-ylbutan-1-ol (CID 142686363) is 1-(2,3-dibutyl-4-methoxyphenyl)-4-pyrazin-2-ylbutan-1-ol.
What is the SMILES notation for 1-(2,3-dibutyl-4-methoxyphenyl)-4-pyrazin-2-ylbutan-1-ol?
The canonical SMILES for 1-(2,3-dibutyl-4-methoxyphenyl)-4-pyrazin-2-ylbutan-1-ol is CCCCc1c(OC)ccc(C(O)CCCc2cnccn2)c1CCCC.
What is the InChIKey of 1-(2,3-dibutyl-4-methoxyphenyl)-4-pyrazin-2-ylbutan-1-ol?
The InChIKey is VWCBYFMZMCCPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O2/c1-4-6-10-19-20(13-14-23(27-3)21(19)11-7-5-2)22(26)12-8-9-18-17-24-15-16-25-18/h13-17,22,26H,4-12H2,1-3H3.
What are the key properties of 1-(2,3-dibutyl-4-methoxyphenyl)-4-pyrazin-2-ylbutan-1-ol?
1-(2,3-dibutyl-4-methoxyphenyl)-4-pyrazin-2-ylbutan-1-ol has a molecular weight of 370.54 g/mol, XLogP of 5.23, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dibutyl-4-methoxyphenyl)-4-pyrazin-2-ylbutan-1-ol is sourced from PubChem (CID 142686363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).