[3-(4-hydroxybenzoyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-(4-hydroxyphenyl)methanone

C24H16N2O5 — CID 135543745

IUPAC[3-(4-hydroxybenzoyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-(4-hydroxyphenyl)methanone
SMILESO=C(c1ccc(O)cc1)c1ncc(-c2ccc(O)cc2)nc1C(=O)c1ccc(O)cc1
InChIInChI=1S/C24H16N2O5/c27-17-7-1-14(2-8-17)20-13-25-21(23(30)15-3-9-18(28)10-4-15)22(26-20)24(31)16-5-11-19(29)12-6-16/h1-13,27-29H
InChIKeyAVYFCSACADRIED-UHFFFAOYSA-N
MW412.40 g/mol
LogP3.72
Rot. Bonds5

About [3-(4-hydroxybenzoyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-(4-hydroxyphenyl)methanone

[3-(4-hydroxybenzoyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-(4-hydroxyphenyl)methanone (PubChem CID 135543745) has the molecular formula C24H16N2O5 and a molecular weight of 412.40 g/mol. Its IUPAC name is [3-(4-hydroxybenzoyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-(4-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[3-(4-hydroxybenzoyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-(4-hydroxyphenyl)methanone
PubChem CID135543745
Molecular FormulaC24H16N2O5
Molecular Weight412.40 g/mol
Exact Mass412.11
IUPAC Name[3-(4-hydroxybenzoyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-(4-hydroxyphenyl)methanone
SMILESO=C(c1ccc(O)cc1)c1ncc(-c2ccc(O)cc2)nc1C(=O)c1ccc(O)cc1
InChIInChI=1S/C24H16N2O5/c27-17-7-1-14(2-8-17)20-13-25-21(23(30)15-3-9-18(28)10-4-15)22(26-20)24(31)16-5-11-19(29)12-6-16/h1-13,27-29H
InChIKeyAVYFCSACADRIED-UHFFFAOYSA-N
XLogP3.72
TPSA120.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.40
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-(4-hydroxybenzoyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-(4-hydroxyphenyl)methanone?
The IUPAC name of [3-(4-hydroxybenzoyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-(4-hydroxyphenyl)methanone (CID 135543745) is [3-(4-hydroxybenzoyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-(4-hydroxyphenyl)methanone.
What is the SMILES notation for [3-(4-hydroxybenzoyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-(4-hydroxyphenyl)methanone?
The canonical SMILES for [3-(4-hydroxybenzoyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-(4-hydroxyphenyl)methanone is O=C(c1ccc(O)cc1)c1ncc(-c2ccc(O)cc2)nc1C(=O)c1ccc(O)cc1.
What is the InChIKey of [3-(4-hydroxybenzoyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-(4-hydroxyphenyl)methanone?
The InChIKey is AVYFCSACADRIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N2O5/c27-17-7-1-14(2-8-17)20-13-25-21(23(30)15-3-9-18(28)10-4-15)22(26-20)24(31)16-5-11-19(29)12-6-16/h1-13,27-29H.
What are the key properties of [3-(4-hydroxybenzoyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-(4-hydroxyphenyl)methanone?
[3-(4-hydroxybenzoyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-(4-hydroxyphenyl)methanone has a molecular weight of 412.40 g/mol, XLogP of 3.72, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-hydroxybenzoyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-(4-hydroxyphenyl)methanone is sourced from PubChem (CID 135543745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).