2-hydroxyimino-1-(4-methoxy-3-phenylmethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propan-1-one

C26H27NO7 — CID 77138204

IUPAC2-hydroxyimino-1-(4-methoxy-3-phenylmethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propan-1-one
SMILESCOc1ccc(C(=O)C(Cc2cc(OC)c(OC)c(OC)c2)=NO)cc1OCc1ccccc1
InChIInChI=1S/C26H27NO7/c1-30-21-11-10-19(15-22(21)34-16-17-8-6-5-7-9-17)25(28)20(27-29)12-18-13-23(31-2)26(33-4)24(14-18)32-3/h5-11,13-15,29H,12,16H2,1-4H3
InChIKeyMINYEKXLYBPPIJ-UHFFFAOYSA-N
MW465.50 g/mol
LogP4.56
Rot. Bonds11

About 2-hydroxyimino-1-(4-methoxy-3-phenylmethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propan-1-one

2-hydroxyimino-1-(4-methoxy-3-phenylmethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propan-1-one (PubChem CID 77138204) has the molecular formula C26H27NO7 and a molecular weight of 465.50 g/mol. Its IUPAC name is 2-hydroxyimino-1-(4-methoxy-3-phenylmethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propan-1-one.

Molecular Properties

Compound Name2-hydroxyimino-1-(4-methoxy-3-phenylmethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propan-1-one
PubChem CID77138204
Molecular FormulaC26H27NO7
Molecular Weight465.50 g/mol
Exact Mass465.18
IUPAC Name2-hydroxyimino-1-(4-methoxy-3-phenylmethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propan-1-one
SMILESCOc1ccc(C(=O)C(Cc2cc(OC)c(OC)c(OC)c2)=NO)cc1OCc1ccccc1
InChIInChI=1S/C26H27NO7/c1-30-21-11-10-19(15-22(21)34-16-17-8-6-5-7-9-17)25(28)20(27-29)12-18-13-23(31-2)26(33-4)24(14-18)32-3/h5-11,13-15,29H,12,16H2,1-4H3
InChIKeyMINYEKXLYBPPIJ-UHFFFAOYSA-N
XLogP4.56
TPSA95.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.50
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-hydroxyimino-1-(4-methoxy-3-phenylmethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-methoxy-3-phenylmethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione
CID 141465485
[2-(4-methoxy-3-phenylmethoxyphenyl)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 101165003
4-methoxy-3-phenylmethoxybenzamide
CID 22467475
1-(3-methoxy-4-phenylmethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propan-1-one
CID 4049023
4-methoxy-N-methyl-3-phenylmethoxybenzamide
CID 138553454
3-(4-methoxy-3-phenylmethoxyphenyl)-3-oxo-2-(3,4,5-trimethoxyphenyl)propanenitrile
CID 141184872
2,2,2-trifluoro-1-(4-methoxy-3-phenylmethoxyphenyl)ethanone
CID 83951245
3,4,5-trimethoxy-N-[(E)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 42991313
(4-phenylmethoxyphenyl) 2-(3,4,5-trimethoxyphenyl)acetate
CID 8019810
[3-(4-methoxy-3-phenylmethoxyphenyl)oxiran-2-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 11442314
propan-2-yl 4-methoxy-3-phenylmethoxybenzoate
CID 82186215
1-[3,4-bis(phenylmethoxy)phenyl]-3-(6-hydroxy-2,3,4-trimethoxyphenyl)propane-1,3-dione
CID 10119740

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyimino-1-(4-methoxy-3-phenylmethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propan-1-one?
The IUPAC name of 2-hydroxyimino-1-(4-methoxy-3-phenylmethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propan-1-one (CID 77138204) is 2-hydroxyimino-1-(4-methoxy-3-phenylmethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propan-1-one.
What is the SMILES notation for 2-hydroxyimino-1-(4-methoxy-3-phenylmethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propan-1-one?
The canonical SMILES for 2-hydroxyimino-1-(4-methoxy-3-phenylmethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propan-1-one is COc1ccc(C(=O)C(Cc2cc(OC)c(OC)c(OC)c2)=NO)cc1OCc1ccccc1.
What is the InChIKey of 2-hydroxyimino-1-(4-methoxy-3-phenylmethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propan-1-one?
The InChIKey is MINYEKXLYBPPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO7/c1-30-21-11-10-19(15-22(21)34-16-17-8-6-5-7-9-17)25(28)20(27-29)12-18-13-23(31-2)26(33-4)24(14-18)32-3/h5-11,13-15,29H,12,16H2,1-4H3.
What are the key properties of 2-hydroxyimino-1-(4-methoxy-3-phenylmethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propan-1-one?
2-hydroxyimino-1-(4-methoxy-3-phenylmethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propan-1-one has a molecular weight of 465.50 g/mol, XLogP of 4.56, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyimino-1-(4-methoxy-3-phenylmethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propan-1-one is sourced from PubChem (CID 77138204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).