(4-butoxyphenyl)-(3-methoxypyrazin-2-yl)methanol

C16H20N2O3 — CID 105123968

IUPAC(4-butoxyphenyl)-(3-methoxypyrazin-2-yl)methanol
SMILESCCCCOc1ccc(C(O)c2nccnc2OC)cc1
InChIInChI=1S/C16H20N2O3/c1-3-4-11-21-13-7-5-12(6-8-13)15(19)14-16(20-2)18-10-9-17-14/h5-10,15,19H,3-4,11H2,1-2H3
InChIKeyPOGKABMMSPUAOW-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.75
Rot. Bonds7

About (4-butoxyphenyl)-(3-methoxypyrazin-2-yl)methanol

(4-butoxyphenyl)-(3-methoxypyrazin-2-yl)methanol (PubChem CID 105123968) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is (4-butoxyphenyl)-(3-methoxypyrazin-2-yl)methanol.

Molecular Properties

Compound Name(4-butoxyphenyl)-(3-methoxypyrazin-2-yl)methanol
PubChem CID105123968
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name(4-butoxyphenyl)-(3-methoxypyrazin-2-yl)methanol
SMILESCCCCOc1ccc(C(O)c2nccnc2OC)cc1
InChIInChI=1S/C16H20N2O3/c1-3-4-11-21-13-7-5-12(6-8-13)15(19)14-16(20-2)18-10-9-17-14/h5-10,15,19H,3-4,11H2,1-2H3
InChIKeyPOGKABMMSPUAOW-UHFFFAOYSA-N
XLogP2.75
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3-methoxypyrazin-2-yl)-(4-propan-2-ylphenyl)methanol
CID 104514527
(3-methoxypyrazin-2-yl)-(3-propoxyphenyl)methanol
CID 104514492
(3,4-dimethoxyphenyl)-(3-methoxypyrazin-2-yl)methanol
CID 104514494
bis(4-octoxyphenyl)methanol
CID 139262063
(3,4-dimethoxyphenyl)-(4-pentoxyphenyl)methanol
CID 140923051
(4-ethoxyphenyl)-(2-methoxy-3-pyridinyl)methanol
CID 115605144
(6-methoxy-3-pyridinyl)-(4-propoxyphenyl)methanol
CID 114937776
(4-butoxyphenyl)-(3,4-dichlorophenyl)methanol
CID 105133325
(4-butoxyphenyl)-(3-methoxypyrazin-2-yl)methanone
CID 105126859
(6-methoxypyridazin-3-yl)-(4-propoxyphenyl)methanol
CID 103373461
(4-butoxyphenyl)-(2-methylpyrazol-3-yl)methanol
CID 105098336
1-(4-butoxyphenyl)propan-1-ol
CID 19979001

Frequently Asked Questions

What is the IUPAC name of (4-butoxyphenyl)-(3-methoxypyrazin-2-yl)methanol?
The IUPAC name of (4-butoxyphenyl)-(3-methoxypyrazin-2-yl)methanol (CID 105123968) is (4-butoxyphenyl)-(3-methoxypyrazin-2-yl)methanol.
What is the SMILES notation for (4-butoxyphenyl)-(3-methoxypyrazin-2-yl)methanol?
The canonical SMILES for (4-butoxyphenyl)-(3-methoxypyrazin-2-yl)methanol is CCCCOc1ccc(C(O)c2nccnc2OC)cc1.
What is the InChIKey of (4-butoxyphenyl)-(3-methoxypyrazin-2-yl)methanol?
The InChIKey is POGKABMMSPUAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-3-4-11-21-13-7-5-12(6-8-13)15(19)14-16(20-2)18-10-9-17-14/h5-10,15,19H,3-4,11H2,1-2H3.
What are the key properties of (4-butoxyphenyl)-(3-methoxypyrazin-2-yl)methanol?
(4-butoxyphenyl)-(3-methoxypyrazin-2-yl)methanol has a molecular weight of 288.35 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butoxyphenyl)-(3-methoxypyrazin-2-yl)methanol is sourced from PubChem (CID 105123968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).