1-(4-methoxy-3-phenylmethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione

C25H24O7 — CID 141465485

IUPAC1-(4-methoxy-3-phenylmethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione
SMILESCOc1ccc(C(=O)C(=O)c2cc(OC)c(OC)c(OC)c2)cc1OCc1ccccc1
InChIInChI=1S/C25H24O7/c1-28-19-11-10-17(12-20(19)32-15-16-8-6-5-7-9-16)23(26)24(27)18-13-21(29-2)25(31-4)22(14-18)30-3/h5-14H,15H2,1-4H3
InChIKeySXRPURBYHQTBCN-UHFFFAOYSA-N
MW436.46 g/mol
LogP4.37
Rot. Bonds10

About 1-(4-methoxy-3-phenylmethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione

1-(4-methoxy-3-phenylmethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione (PubChem CID 141465485) has the molecular formula C25H24O7 and a molecular weight of 436.46 g/mol. Its IUPAC name is 1-(4-methoxy-3-phenylmethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione.

Molecular Properties

Compound Name1-(4-methoxy-3-phenylmethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione
PubChem CID141465485
Molecular FormulaC25H24O7
Molecular Weight436.46 g/mol
Exact Mass436.15
IUPAC Name1-(4-methoxy-3-phenylmethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione
SMILESCOc1ccc(C(=O)C(=O)c2cc(OC)c(OC)c(OC)c2)cc1OCc1ccccc1
InChIInChI=1S/C25H24O7/c1-28-19-11-10-17(12-20(19)32-15-16-8-6-5-7-9-16)23(26)24(27)18-13-21(29-2)25(31-4)22(14-18)30-3/h5-14H,15H2,1-4H3
InChIKeySXRPURBYHQTBCN-UHFFFAOYSA-N
XLogP4.37
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.46
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-hydroxyimino-1-(4-methoxy-3-phenylmethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propan-1-one
CID 77138204
4-methoxy-3-phenylmethoxybenzamide
CID 22467475
[2-(4-methoxy-3-phenylmethoxyphenyl)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 101165003
4-methoxy-N-methyl-3-phenylmethoxybenzamide
CID 138553454
3-(4-methoxy-3-phenylmethoxyphenyl)-3-oxo-2-(3,4,5-trimethoxyphenyl)propanenitrile
CID 141184872
1-(3-methoxy-4-phenylmethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propan-1-one
CID 4049023
2,2,2-trifluoro-1-(4-methoxy-3-phenylmethoxyphenyl)ethanone
CID 83951245
[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
3,4,5-trimethoxy-N-[(E)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 42991313
1-(4-methoxy-3-phenylmethoxyphenyl)-4-methylpentan-1-one
CID 19049285

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3-phenylmethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione?
The IUPAC name of 1-(4-methoxy-3-phenylmethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione (CID 141465485) is 1-(4-methoxy-3-phenylmethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione.
What is the SMILES notation for 1-(4-methoxy-3-phenylmethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione?
The canonical SMILES for 1-(4-methoxy-3-phenylmethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione is COc1ccc(C(=O)C(=O)c2cc(OC)c(OC)c(OC)c2)cc1OCc1ccccc1.
What is the InChIKey of 1-(4-methoxy-3-phenylmethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione?
The InChIKey is SXRPURBYHQTBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24O7/c1-28-19-11-10-17(12-20(19)32-15-16-8-6-5-7-9-16)23(26)24(27)18-13-21(29-2)25(31-4)22(14-18)30-3/h5-14H,15H2,1-4H3.
What are the key properties of 1-(4-methoxy-3-phenylmethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione?
1-(4-methoxy-3-phenylmethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione has a molecular weight of 436.46 g/mol, XLogP of 4.37, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3-phenylmethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione is sourced from PubChem (CID 141465485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).