ethane;2-[4-(5-methylpyrazin-2-yl)oxyphenyl]propan-2-ol

C16H22N2O2 — CID 177219448

IUPACethane;2-[4-(5-methylpyrazin-2-yl)oxyphenyl]propan-2-ol
SMILESCC.Cc1cnc(Oc2ccc(C(C)(C)O)cc2)cn1
InChIInChI=1S/C14H16N2O2.C2H6/c1-10-8-16-13(9-15-10)18-12-6-4-11(5-7-12)14(2,3)17;1-2/h4-9,17H,1-3H3;1-2H3
InChIKeyDPWIKIQBTWPAIE-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.83
Rot. Bonds3

About ethane;2-[4-(5-methylpyrazin-2-yl)oxyphenyl]propan-2-ol

ethane;2-[4-(5-methylpyrazin-2-yl)oxyphenyl]propan-2-ol (PubChem CID 177219448) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is ethane;2-[4-(5-methylpyrazin-2-yl)oxyphenyl]propan-2-ol.

Molecular Properties

Compound Nameethane;2-[4-(5-methylpyrazin-2-yl)oxyphenyl]propan-2-ol
PubChem CID177219448
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Nameethane;2-[4-(5-methylpyrazin-2-yl)oxyphenyl]propan-2-ol
SMILESCC.Cc1cnc(Oc2ccc(C(C)(C)O)cc2)cn1
InChIInChI=1S/C14H16N2O2.C2H6/c1-10-8-16-13(9-15-10)18-12-6-4-11(5-7-12)14(2,3)17;1-2/h4-9,17H,1-3H3;1-2H3
InChIKeyDPWIKIQBTWPAIE-UHFFFAOYSA-N
XLogP3.83
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(5-methylpyrazin-2-yl)oxyphenyl]propan-2-ol
CID 177219464
2-(4-tert-butylphenoxy)-5-methylpyridine
CID 135299513
ethane;2-[3-[(6-methyl-3-pyridinyl)oxy]phenyl]propan-2-ol
CID 177219239
2-methyl-5-[(2-methylpropan-2-yl)oxy]pyrazine
CID 59273469
2-[4-[2,4,6-tris(2-hydroxypropan-2-yl)phenoxy]phenyl]propan-2-ol
CID 66722022
5-[4-(2-hydroxypropan-2-yl)phenoxy]pyridine-2-carbaldehyde
CID 177219370
2-[4-(2-amino-6-chloropyrimidin-4-yl)oxyphenyl]propan-2-ol
CID 163247823
5-tert-butyl-2-(4-fluorophenoxy)pyridine
CID 69192638
5-tert-butyl-2-(4-chlorophenoxy)pyridine
CID 59464073
2-(4-tert-butylphenoxy)-6-methylpyrazine
CID 58432453
5-(bromomethyl)-2-[4-(2-methylbutan-2-yl)phenoxy]pyridine
CID 107086966
2-[4-[3-[4-(2-hydroxypropan-2-yl)phenoxy]-2,2-bis[[4-(2-hydroxypropan-2-yl)phenoxy]methyl]propoxy]phenyl]propan-2-ol
CID 165095225

Frequently Asked Questions

What is the IUPAC name of ethane;2-[4-(5-methylpyrazin-2-yl)oxyphenyl]propan-2-ol?
The IUPAC name of ethane;2-[4-(5-methylpyrazin-2-yl)oxyphenyl]propan-2-ol (CID 177219448) is ethane;2-[4-(5-methylpyrazin-2-yl)oxyphenyl]propan-2-ol.
What is the SMILES notation for ethane;2-[4-(5-methylpyrazin-2-yl)oxyphenyl]propan-2-ol?
The canonical SMILES for ethane;2-[4-(5-methylpyrazin-2-yl)oxyphenyl]propan-2-ol is CC.Cc1cnc(Oc2ccc(C(C)(C)O)cc2)cn1.
What is the InChIKey of ethane;2-[4-(5-methylpyrazin-2-yl)oxyphenyl]propan-2-ol?
The InChIKey is DPWIKIQBTWPAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2.C2H6/c1-10-8-16-13(9-15-10)18-12-6-4-11(5-7-12)14(2,3)17;1-2/h4-9,17H,1-3H3;1-2H3.
What are the key properties of ethane;2-[4-(5-methylpyrazin-2-yl)oxyphenyl]propan-2-ol?
ethane;2-[4-(5-methylpyrazin-2-yl)oxyphenyl]propan-2-ol has a molecular weight of 274.36 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[4-(5-methylpyrazin-2-yl)oxyphenyl]propan-2-ol is sourced from PubChem (CID 177219448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).