[2-(4-methoxy-3-phenylmethoxyphenyl)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate

C27H28O8 — CID 101165003

IUPAC[2-(4-methoxy-3-phenylmethoxyphenyl)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
SMILESCOc1ccc(C(=O)COC(=O)Cc2cc(OC)c(OC)c(OC)c2)cc1OCc1ccccc1
InChIInChI=1S/C27H28O8/c1-30-22-11-10-20(15-23(22)34-16-18-8-6-5-7-9-18)21(28)17-35-26(29)14-19-12-24(31-2)27(33-4)25(13-19)32-3/h5-13,15H,14,16-17H2,1-4H3
InChIKeyXLDBOKQDIBPHQX-UHFFFAOYSA-N
MW480.51 g/mol
LogP4.27
Rot. Bonds12

About [2-(4-methoxy-3-phenylmethoxyphenyl)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate

[2-(4-methoxy-3-phenylmethoxyphenyl)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate (PubChem CID 101165003) has the molecular formula C27H28O8 and a molecular weight of 480.51 g/mol. Its IUPAC name is [2-(4-methoxy-3-phenylmethoxyphenyl)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate.

Molecular Properties

Compound Name[2-(4-methoxy-3-phenylmethoxyphenyl)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
PubChem CID101165003
Molecular FormulaC27H28O8
Molecular Weight480.51 g/mol
Exact Mass480.18
IUPAC Name[2-(4-methoxy-3-phenylmethoxyphenyl)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
SMILESCOc1ccc(C(=O)COC(=O)Cc2cc(OC)c(OC)c(OC)c2)cc1OCc1ccccc1
InChIInChI=1S/C27H28O8/c1-30-22-11-10-20(15-23(22)34-16-18-8-6-5-7-9-18)21(28)17-35-26(29)14-19-12-24(31-2)27(33-4)25(13-19)32-3/h5-13,15H,14,16-17H2,1-4H3
InChIKeyXLDBOKQDIBPHQX-UHFFFAOYSA-N
XLogP4.27
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.51
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-(4-methoxy-3-phenylmethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione
CID 141465485
2-hydroxyimino-1-(4-methoxy-3-phenylmethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propan-1-one
CID 77138204
[2-(4-fluorophenyl)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 2355431
1-(3-methoxy-4-phenylmethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propan-1-one
CID 4049023
4-methoxy-3-phenylmethoxybenzamide
CID 22467475
[2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 8013673
(4-phenylmethoxyphenyl) 2-(3,4,5-trimethoxyphenyl)acetate
CID 8019810
1-[3,4-bis(phenylmethoxy)phenyl]-3-(6-hydroxy-2,3,4-trimethoxyphenyl)propane-1,3-dione
CID 10119740
methyl 3-[3,4-bis(phenylmethoxy)phenyl]-3-oxopropanoate
CID 142350282
1-(4-methoxy-3-phenylmethoxyphenyl)-4-methylpentan-1-one
CID 19049285
diethyl 2-[2-(4-methoxy-3-phenylmethoxyphenyl)-2-oxoethyl]propanedioate
CID 102243693
4-methoxy-N-methyl-3-phenylmethoxybenzamide
CID 138553454

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxy-3-phenylmethoxyphenyl)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate?
The IUPAC name of [2-(4-methoxy-3-phenylmethoxyphenyl)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate (CID 101165003) is [2-(4-methoxy-3-phenylmethoxyphenyl)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate.
What is the SMILES notation for [2-(4-methoxy-3-phenylmethoxyphenyl)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate?
The canonical SMILES for [2-(4-methoxy-3-phenylmethoxyphenyl)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate is COc1ccc(C(=O)COC(=O)Cc2cc(OC)c(OC)c(OC)c2)cc1OCc1ccccc1.
What is the InChIKey of [2-(4-methoxy-3-phenylmethoxyphenyl)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate?
The InChIKey is XLDBOKQDIBPHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28O8/c1-30-22-11-10-20(15-23(22)34-16-18-8-6-5-7-9-18)21(28)17-35-26(29)14-19-12-24(31-2)27(33-4)25(13-19)32-3/h5-13,15H,14,16-17H2,1-4H3.
What are the key properties of [2-(4-methoxy-3-phenylmethoxyphenyl)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate?
[2-(4-methoxy-3-phenylmethoxyphenyl)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate has a molecular weight of 480.51 g/mol, XLogP of 4.27, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxy-3-phenylmethoxyphenyl)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate is sourced from PubChem (CID 101165003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).