[3-[3-[(E)-hydroxyiminomethyl]-2,4-dimethoxybenzoyl]phenyl]-[3-[(E)-hydroxyiminomethyl]-2,4-dimethoxyphenyl]methanone

C26H24N2O8 — CID 88904908

IUPAC[3-[3-[(E)-hydroxyiminomethyl]-2,4-dimethoxybenzoyl]phenyl]-[3-[(E)-hydroxyiminomethyl]-2,4-dimethoxyphenyl]methanone
SMILESCOc1ccc(C(=O)c2cccc(C(=O)c3ccc(OC)c(/C=N/O)c3OC)c2)c(OC)c1/C=N/O
InChIInChI=1S/C26H24N2O8/c1-33-21-10-8-17(25(35-3)19(21)13-27-31)23(29)15-6-5-7-16(12-15)24(30)18-9-11-22(34-2)20(14-28-32)26(18)36-4/h5-14,31-32H,1-4H3/b27-13+,28-14+
InChIKeyDLZSXQCXPVLUQS-OCHFTUDZSA-N
MW492.48 g/mol
LogP3.80
Rot. Bonds10

About [3-[3-[(E)-hydroxyiminomethyl]-2,4-dimethoxybenzoyl]phenyl]-[3-[(E)-hydroxyiminomethyl]-2,4-dimethoxyphenyl]methanone

[3-[3-[(E)-hydroxyiminomethyl]-2,4-dimethoxybenzoyl]phenyl]-[3-[(E)-hydroxyiminomethyl]-2,4-dimethoxyphenyl]methanone (PubChem CID 88904908) has the molecular formula C26H24N2O8 and a molecular weight of 492.48 g/mol. Its IUPAC name is [3-[3-[(E)-hydroxyiminomethyl]-2,4-dimethoxybenzoyl]phenyl]-[3-[(E)-hydroxyiminomethyl]-2,4-dimethoxyphenyl]methanone.

Molecular Properties

Compound Name[3-[3-[(E)-hydroxyiminomethyl]-2,4-dimethoxybenzoyl]phenyl]-[3-[(E)-hydroxyiminomethyl]-2,4-dimethoxyphenyl]methanone
PubChem CID88904908
Molecular FormulaC26H24N2O8
Molecular Weight492.48 g/mol
Exact Mass492.15
IUPAC Name[3-[3-[(E)-hydroxyiminomethyl]-2,4-dimethoxybenzoyl]phenyl]-[3-[(E)-hydroxyiminomethyl]-2,4-dimethoxyphenyl]methanone
SMILESCOc1ccc(C(=O)c2cccc(C(=O)c3ccc(OC)c(/C=N/O)c3OC)c2)c(OC)c1/C=N/O
InChIInChI=1S/C26H24N2O8/c1-33-21-10-8-17(25(35-3)19(21)13-27-31)23(29)15-6-5-7-16(12-15)24(30)18-9-11-22(34-2)20(14-28-32)26(18)36-4/h5-14,31-32H,1-4H3/b27-13+,28-14+
InChIKeyDLZSXQCXPVLUQS-OCHFTUDZSA-N
XLogP3.80
TPSA136.24 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.48
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(3,4-dimethoxybenzoyl)-2-methoxybenzaldehyde
CID 140507897
N-[(2-methoxynaphthalen-1-yl)methylidene]hydroxylamine
CID 708036
(2,3-dimethoxyphenyl)-(3-methylphenyl)methanone
CID 105079255
2-[(E)-hydroxyiminomethyl]-3-methoxyphenol
CID 135755375
(2-benzoyl-3,4-dimethoxyphenyl)-phenylmethanone
CID 175021550
[3-(4-hydroxy-2-methoxybenzoyl)phenyl]sulfonyl formate
CID 57325067
(2E)-2-hydroxyimino-1-(2,3,4-trimethoxyphenyl)ethanone
CID 121222968
(5-bromo-2-methoxyphenyl)-(3-bromophenyl)methanone
CID 43161777
5-(3-carboxybenzoyl)-2-methoxybenzoic acid
CID 71390290
(5-fluoro-2-methoxyphenyl)-(3-fluorophenyl)methanone
CID 43339656
3-(hydroxyiminomethyl)-2-methoxybenzamide
CID 143987330
(3,4-dichlorophenyl)-(2,3-dimethoxyphenyl)methanone
CID 105076168

Frequently Asked Questions

What is the IUPAC name of [3-[3-[(E)-hydroxyiminomethyl]-2,4-dimethoxybenzoyl]phenyl]-[3-[(E)-hydroxyiminomethyl]-2,4-dimethoxyphenyl]methanone?
The IUPAC name of [3-[3-[(E)-hydroxyiminomethyl]-2,4-dimethoxybenzoyl]phenyl]-[3-[(E)-hydroxyiminomethyl]-2,4-dimethoxyphenyl]methanone (CID 88904908) is [3-[3-[(E)-hydroxyiminomethyl]-2,4-dimethoxybenzoyl]phenyl]-[3-[(E)-hydroxyiminomethyl]-2,4-dimethoxyphenyl]methanone.
What is the SMILES notation for [3-[3-[(E)-hydroxyiminomethyl]-2,4-dimethoxybenzoyl]phenyl]-[3-[(E)-hydroxyiminomethyl]-2,4-dimethoxyphenyl]methanone?
The canonical SMILES for [3-[3-[(E)-hydroxyiminomethyl]-2,4-dimethoxybenzoyl]phenyl]-[3-[(E)-hydroxyiminomethyl]-2,4-dimethoxyphenyl]methanone is COc1ccc(C(=O)c2cccc(C(=O)c3ccc(OC)c(/C=N/O)c3OC)c2)c(OC)c1/C=N/O.
What is the InChIKey of [3-[3-[(E)-hydroxyiminomethyl]-2,4-dimethoxybenzoyl]phenyl]-[3-[(E)-hydroxyiminomethyl]-2,4-dimethoxyphenyl]methanone?
The InChIKey is DLZSXQCXPVLUQS-OCHFTUDZSA-N. The full InChI is InChI=1S/C26H24N2O8/c1-33-21-10-8-17(25(35-3)19(21)13-27-31)23(29)15-6-5-7-16(12-15)24(30)18-9-11-22(34-2)20(14-28-32)26(18)36-4/h5-14,31-32H,1-4H3/b27-13+,28-14+.
What are the key properties of [3-[3-[(E)-hydroxyiminomethyl]-2,4-dimethoxybenzoyl]phenyl]-[3-[(E)-hydroxyiminomethyl]-2,4-dimethoxyphenyl]methanone?
[3-[3-[(E)-hydroxyiminomethyl]-2,4-dimethoxybenzoyl]phenyl]-[3-[(E)-hydroxyiminomethyl]-2,4-dimethoxyphenyl]methanone has a molecular weight of 492.48 g/mol, XLogP of 3.80, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-[(E)-hydroxyiminomethyl]-2,4-dimethoxybenzoyl]phenyl]-[3-[(E)-hydroxyiminomethyl]-2,4-dimethoxyphenyl]methanone is sourced from PubChem (CID 88904908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).