(3,4-dimethoxyphenyl)-(3-methoxypyrazin-2-yl)methanol

C14H16N2O4 — CID 104514494

IUPAC(3,4-dimethoxyphenyl)-(3-methoxypyrazin-2-yl)methanol
SMILESCOc1ccc(C(O)c2nccnc2OC)cc1OC
InChIInChI=1S/C14H16N2O4/c1-18-10-5-4-9(8-11(10)19-2)13(17)12-14(20-3)16-7-6-15-12/h4-8,13,17H,1-3H3
InChIKeyKZUBFTGUZBXXDG-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.58
Rot. Bonds5

About (3,4-dimethoxyphenyl)-(3-methoxypyrazin-2-yl)methanol

(3,4-dimethoxyphenyl)-(3-methoxypyrazin-2-yl)methanol (PubChem CID 104514494) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-(3-methoxypyrazin-2-yl)methanol.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-(3-methoxypyrazin-2-yl)methanol
PubChem CID104514494
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name(3,4-dimethoxyphenyl)-(3-methoxypyrazin-2-yl)methanol
SMILESCOc1ccc(C(O)c2nccnc2OC)cc1OC
InChIInChI=1S/C14H16N2O4/c1-18-10-5-4-9(8-11(10)19-2)13(17)12-14(20-3)16-7-6-15-12/h4-8,13,17H,1-3H3
InChIKeyKZUBFTGUZBXXDG-UHFFFAOYSA-N
XLogP1.58
TPSA73.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3-methoxypyrazin-2-yl)-(4-propan-2-ylphenyl)methanol
CID 104514527
[(3,4-dimethoxyphenyl)-(3-methoxypyrazin-2-yl)methyl]hydrazine
CID 105192205
(4-butoxyphenyl)-(3-methoxypyrazin-2-yl)methanol
CID 105123968
[4-fluoro-3-(trifluoromethyl)phenyl]-(3-methoxypyrazin-2-yl)methanol
CID 104514714
(3,4-dimethoxyphenyl)-pyridin-2-ylmethanol
CID 14098122
(S)-(3,4-dimethoxyphenyl)-phenylmethanol
CID 7154230
(3-methoxypyrazin-2-yl)-(3-propoxyphenyl)methanol
CID 104514492
(3-methoxy-4-methylphenyl)-(3-methoxypyrazin-2-yl)methanamine
CID 105031995
(3,4-dimethoxyphenyl)-(2-methylpyrimidin-4-yl)methanol
CID 115527861
1,2-bis(3,4-dimethoxyphenyl)ethane-1,2-diol
CID 11461770
(1R)-2-amino-1-(3,4-dimethoxyphenyl)ethanol;hydrochloride
CID 163203583
(2,5-dimethylphenyl)-(3-methoxypyrazin-2-yl)methanol
CID 104514541

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-(3-methoxypyrazin-2-yl)methanol?
The IUPAC name of (3,4-dimethoxyphenyl)-(3-methoxypyrazin-2-yl)methanol (CID 104514494) is (3,4-dimethoxyphenyl)-(3-methoxypyrazin-2-yl)methanol.
What is the SMILES notation for (3,4-dimethoxyphenyl)-(3-methoxypyrazin-2-yl)methanol?
The canonical SMILES for (3,4-dimethoxyphenyl)-(3-methoxypyrazin-2-yl)methanol is COc1ccc(C(O)c2nccnc2OC)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)-(3-methoxypyrazin-2-yl)methanol?
The InChIKey is KZUBFTGUZBXXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-18-10-5-4-9(8-11(10)19-2)13(17)12-14(20-3)16-7-6-15-12/h4-8,13,17H,1-3H3.
What are the key properties of (3,4-dimethoxyphenyl)-(3-methoxypyrazin-2-yl)methanol?
(3,4-dimethoxyphenyl)-(3-methoxypyrazin-2-yl)methanol has a molecular weight of 276.29 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-(3-methoxypyrazin-2-yl)methanol is sourced from PubChem (CID 104514494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).