[6-(3,4-dimethoxybenzoyl)-5-(2-hydroxyethyl)pyridazin-3-yl]-(3,4-dimethoxyphenyl)methanone

C24H24N2O7 — CID 10972445

IUPAC[6-(3,4-dimethoxybenzoyl)-5-(2-hydroxyethyl)pyridazin-3-yl]-(3,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cc(CCO)c(C(=O)c3ccc(OC)c(OC)c3)nn2)cc1OC
InChIInChI=1S/C24H24N2O7/c1-30-18-7-5-15(12-20(18)32-3)23(28)17-11-14(9-10-27)22(26-25-17)24(29)16-6-8-19(31-2)21(13-16)33-4/h5-8,11-13,27H,9-10H2,1-4H3
InChIKeyGLEMPZYYFVYXBR-UHFFFAOYSA-N
MW452.46 g/mol
LogP2.51
Rot. Bonds10

About [6-(3,4-dimethoxybenzoyl)-5-(2-hydroxyethyl)pyridazin-3-yl]-(3,4-dimethoxyphenyl)methanone

[6-(3,4-dimethoxybenzoyl)-5-(2-hydroxyethyl)pyridazin-3-yl]-(3,4-dimethoxyphenyl)methanone (PubChem CID 10972445) has the molecular formula C24H24N2O7 and a molecular weight of 452.46 g/mol. Its IUPAC name is [6-(3,4-dimethoxybenzoyl)-5-(2-hydroxyethyl)pyridazin-3-yl]-(3,4-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name[6-(3,4-dimethoxybenzoyl)-5-(2-hydroxyethyl)pyridazin-3-yl]-(3,4-dimethoxyphenyl)methanone
PubChem CID10972445
Molecular FormulaC24H24N2O7
Molecular Weight452.46 g/mol
Exact Mass452.16
IUPAC Name[6-(3,4-dimethoxybenzoyl)-5-(2-hydroxyethyl)pyridazin-3-yl]-(3,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cc(CCO)c(C(=O)c3ccc(OC)c(OC)c3)nn2)cc1OC
InChIInChI=1S/C24H24N2O7/c1-30-18-7-5-15(12-20(18)32-3)23(28)17-11-14(9-10-27)22(26-25-17)24(29)16-6-8-19(31-2)21(13-16)33-4/h5-8,11-13,27H,9-10H2,1-4H3
InChIKeyGLEMPZYYFVYXBR-UHFFFAOYSA-N
XLogP2.51
TPSA117.07 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.46
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

methyl 3-(2-hydroxyethyl)-4-methoxybenzoate
CID 10608505
(3,4-dimethoxyphenyl)-(6-methyl-2-pyridinyl)methanone
CID 12623269
(3,4-dimethoxyphenyl)-(1-methylpyrazol-3-yl)methanone
CID 65195639
4-(3,4-dimethoxybenzoyl)-1H-imidazole-5-carboxylic acid
CID 116520138
ethyl 1-(3,4-dimethoxybenzoyl)-6,7-dimethoxyisoquinoline-3-carboxylate
CID 11761685
(3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methanone
CID 14297393
[4-(3,4-dimethoxybenzoyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]-(3,4-dimethoxyphenyl)methanone
CID 100944119
1-(3,4-dimethoxyphenyl)-2-methylpropan-1-one
CID 26422
(3,5-dibromophenyl)-(3,4-dimethoxyphenyl)methanone
CID 107976718
1-(3,4-dimethoxyphenyl)-3-[4-(hydroxymethyl)-3-methoxyphenyl]propane-1,3-dione
CID 70880614
3,4-dimethoxybenzoic acid;methanol
CID 144580050
1-(3,4-dimethoxyphenyl)-2,2,2-trifluoroethanone
CID 2758493

Frequently Asked Questions

What is the IUPAC name of [6-(3,4-dimethoxybenzoyl)-5-(2-hydroxyethyl)pyridazin-3-yl]-(3,4-dimethoxyphenyl)methanone?
The IUPAC name of [6-(3,4-dimethoxybenzoyl)-5-(2-hydroxyethyl)pyridazin-3-yl]-(3,4-dimethoxyphenyl)methanone (CID 10972445) is [6-(3,4-dimethoxybenzoyl)-5-(2-hydroxyethyl)pyridazin-3-yl]-(3,4-dimethoxyphenyl)methanone.
What is the SMILES notation for [6-(3,4-dimethoxybenzoyl)-5-(2-hydroxyethyl)pyridazin-3-yl]-(3,4-dimethoxyphenyl)methanone?
The canonical SMILES for [6-(3,4-dimethoxybenzoyl)-5-(2-hydroxyethyl)pyridazin-3-yl]-(3,4-dimethoxyphenyl)methanone is COc1ccc(C(=O)c2cc(CCO)c(C(=O)c3ccc(OC)c(OC)c3)nn2)cc1OC.
What is the InChIKey of [6-(3,4-dimethoxybenzoyl)-5-(2-hydroxyethyl)pyridazin-3-yl]-(3,4-dimethoxyphenyl)methanone?
The InChIKey is GLEMPZYYFVYXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O7/c1-30-18-7-5-15(12-20(18)32-3)23(28)17-11-14(9-10-27)22(26-25-17)24(29)16-6-8-19(31-2)21(13-16)33-4/h5-8,11-13,27H,9-10H2,1-4H3.
What are the key properties of [6-(3,4-dimethoxybenzoyl)-5-(2-hydroxyethyl)pyridazin-3-yl]-(3,4-dimethoxyphenyl)methanone?
[6-(3,4-dimethoxybenzoyl)-5-(2-hydroxyethyl)pyridazin-3-yl]-(3,4-dimethoxyphenyl)methanone has a molecular weight of 452.46 g/mol, XLogP of 2.51, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3,4-dimethoxybenzoyl)-5-(2-hydroxyethyl)pyridazin-3-yl]-(3,4-dimethoxyphenyl)methanone is sourced from PubChem (CID 10972445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).