2-methoxy-4-[6-(4-methoxyphenyl)pyrazin-2-yl]phenol

C18H16N2O3 — CID 137120099

IUPAC2-methoxy-4-[6-(4-methoxyphenyl)pyrazin-2-yl]phenol
SMILESCOc1ccc(-c2cncc(-c3ccc(O)c(OC)c3)n2)cc1
InChIInChI=1S/C18H16N2O3/c1-22-14-6-3-12(4-7-14)15-10-19-11-16(20-15)13-5-8-17(21)18(9-13)23-2/h3-11,21H,1-2H3
InChIKeyNLJNPOMQYYDZNA-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.53
Rot. Bonds4

About 2-methoxy-4-[6-(4-methoxyphenyl)pyrazin-2-yl]phenol

2-methoxy-4-[6-(4-methoxyphenyl)pyrazin-2-yl]phenol (PubChem CID 137120099) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-methoxy-4-[6-(4-methoxyphenyl)pyrazin-2-yl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[6-(4-methoxyphenyl)pyrazin-2-yl]phenol
PubChem CID137120099
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name2-methoxy-4-[6-(4-methoxyphenyl)pyrazin-2-yl]phenol
SMILESCOc1ccc(-c2cncc(-c3ccc(O)c(OC)c3)n2)cc1
InChIInChI=1S/C18H16N2O3/c1-22-14-6-3-12(4-7-14)15-10-19-11-16(20-15)13-5-8-17(21)18(9-13)23-2/h3-11,21H,1-2H3
InChIKeyNLJNPOMQYYDZNA-UHFFFAOYSA-N
XLogP3.53
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[6-(4-methoxyphenyl)pyrazin-2-yl]phenol?
The IUPAC name of 2-methoxy-4-[6-(4-methoxyphenyl)pyrazin-2-yl]phenol (CID 137120099) is 2-methoxy-4-[6-(4-methoxyphenyl)pyrazin-2-yl]phenol.
What is the SMILES notation for 2-methoxy-4-[6-(4-methoxyphenyl)pyrazin-2-yl]phenol?
The canonical SMILES for 2-methoxy-4-[6-(4-methoxyphenyl)pyrazin-2-yl]phenol is COc1ccc(-c2cncc(-c3ccc(O)c(OC)c3)n2)cc1.
What is the InChIKey of 2-methoxy-4-[6-(4-methoxyphenyl)pyrazin-2-yl]phenol?
The InChIKey is NLJNPOMQYYDZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-22-14-6-3-12(4-7-14)15-10-19-11-16(20-15)13-5-8-17(21)18(9-13)23-2/h3-11,21H,1-2H3.
What are the key properties of 2-methoxy-4-[6-(4-methoxyphenyl)pyrazin-2-yl]phenol?
2-methoxy-4-[6-(4-methoxyphenyl)pyrazin-2-yl]phenol has a molecular weight of 308.34 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[6-(4-methoxyphenyl)pyrazin-2-yl]phenol is sourced from PubChem (CID 137120099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).