[5-(2-methylpropyl)-6-phenylmethoxy-3-propan-2-ylpyrazin-2-yl]methanol

C19H26N2O2 — CID 150196401

IUPAC[5-(2-methylpropyl)-6-phenylmethoxy-3-propan-2-ylpyrazin-2-yl]methanol
SMILESCC(C)Cc1nc(C(C)C)c(CO)nc1OCc1ccccc1
InChIInChI=1S/C19H26N2O2/c1-13(2)10-16-19(23-12-15-8-6-5-7-9-15)21-17(11-22)18(20-16)14(3)4/h5-9,13-14,22H,10-12H2,1-4H3
InChIKeyFONWDTNLELZHEV-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.87
Rot. Bonds7

About [5-(2-methylpropyl)-6-phenylmethoxy-3-propan-2-ylpyrazin-2-yl]methanol

[5-(2-methylpropyl)-6-phenylmethoxy-3-propan-2-ylpyrazin-2-yl]methanol (PubChem CID 150196401) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is [5-(2-methylpropyl)-6-phenylmethoxy-3-propan-2-ylpyrazin-2-yl]methanol.

Molecular Properties

Compound Name[5-(2-methylpropyl)-6-phenylmethoxy-3-propan-2-ylpyrazin-2-yl]methanol
PubChem CID150196401
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name[5-(2-methylpropyl)-6-phenylmethoxy-3-propan-2-ylpyrazin-2-yl]methanol
SMILESCC(C)Cc1nc(C(C)C)c(CO)nc1OCc1ccccc1
InChIInChI=1S/C19H26N2O2/c1-13(2)10-16-19(23-12-15-8-6-5-7-9-15)21-17(11-22)18(20-16)14(3)4/h5-9,13-14,22H,10-12H2,1-4H3
InChIKeyFONWDTNLELZHEV-UHFFFAOYSA-N
XLogP3.87
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(2-methylpropyl)-6-phenylmethoxy-3-propan-2-ylpyrazin-2-yl]methanol?
The IUPAC name of [5-(2-methylpropyl)-6-phenylmethoxy-3-propan-2-ylpyrazin-2-yl]methanol (CID 150196401) is [5-(2-methylpropyl)-6-phenylmethoxy-3-propan-2-ylpyrazin-2-yl]methanol.
What is the SMILES notation for [5-(2-methylpropyl)-6-phenylmethoxy-3-propan-2-ylpyrazin-2-yl]methanol?
The canonical SMILES for [5-(2-methylpropyl)-6-phenylmethoxy-3-propan-2-ylpyrazin-2-yl]methanol is CC(C)Cc1nc(C(C)C)c(CO)nc1OCc1ccccc1.
What is the InChIKey of [5-(2-methylpropyl)-6-phenylmethoxy-3-propan-2-ylpyrazin-2-yl]methanol?
The InChIKey is FONWDTNLELZHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-13(2)10-16-19(23-12-15-8-6-5-7-9-15)21-17(11-22)18(20-16)14(3)4/h5-9,13-14,22H,10-12H2,1-4H3.
What are the key properties of [5-(2-methylpropyl)-6-phenylmethoxy-3-propan-2-ylpyrazin-2-yl]methanol?
[5-(2-methylpropyl)-6-phenylmethoxy-3-propan-2-ylpyrazin-2-yl]methanol has a molecular weight of 314.43 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methylpropyl)-6-phenylmethoxy-3-propan-2-ylpyrazin-2-yl]methanol is sourced from PubChem (CID 150196401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).