ethyl 2-[4-methoxy-3-[4-methyl-2-(phenoxymethyl)phenyl]phenyl]acetate

C25H26O4 — CID 58460068

IUPACethyl 2-[4-methoxy-3-[4-methyl-2-(phenoxymethyl)phenyl]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(OC)c(-c2ccc(C)cc2COc2ccccc2)c1
InChIInChI=1S/C25H26O4/c1-4-28-25(26)16-19-11-13-24(27-3)23(15-19)22-12-10-18(2)14-20(22)17-29-21-8-6-5-7-9-21/h5-15H,4,16-17H2,1-3H3
InChIKeyNKCYLOKZBCJTLK-UHFFFAOYSA-N
MW390.48 g/mol
LogP5.36
Rot. Bonds8

About ethyl 2-[4-methoxy-3-[4-methyl-2-(phenoxymethyl)phenyl]phenyl]acetate

ethyl 2-[4-methoxy-3-[4-methyl-2-(phenoxymethyl)phenyl]phenyl]acetate (PubChem CID 58460068) has the molecular formula C25H26O4 and a molecular weight of 390.48 g/mol. Its IUPAC name is ethyl 2-[4-methoxy-3-[4-methyl-2-(phenoxymethyl)phenyl]phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-methoxy-3-[4-methyl-2-(phenoxymethyl)phenyl]phenyl]acetate
PubChem CID58460068
Molecular FormulaC25H26O4
Molecular Weight390.48 g/mol
Exact Mass390.18
IUPAC Nameethyl 2-[4-methoxy-3-[4-methyl-2-(phenoxymethyl)phenyl]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(OC)c(-c2ccc(C)cc2COc2ccccc2)c1
InChIInChI=1S/C25H26O4/c1-4-28-25(26)16-19-11-13-24(27-3)23(15-19)22-12-10-18(2)14-20(22)17-29-21-8-6-5-7-9-21/h5-15H,4,16-17H2,1-3H3
InChIKeyNKCYLOKZBCJTLK-UHFFFAOYSA-N
XLogP5.36
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.48
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[4-methoxy-3-[4-methyl-2-(phenoxymethyl)phenyl]phenyl]acetate 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

ethyl 2-[3-[2-[[ethyl-(2-phenylsulfanylacetyl)amino]methyl]-4-methylphenyl]-4-methoxyphenyl]acetate
CID 58149305
ethyl 2-[3-[2-(ethylaminomethyl)-4-fluorophenyl]-4-methoxyphenyl]acetate
CID 58149135
benzyl 3-[[5-carboxyoxy-2-[5-(2-ethoxy-2-oxoethyl)-2-methoxyphenyl]phenyl]methylamino]propanoate
CID 118619870
ethyl 2-[3-[(2,4-dimethylphenyl)methoxy]phenyl]acetate
CID 66875325
2-[3-[2-(benzylsulfinylmethyl)-4-methylphenyl]-4-methoxyphenyl]acetic acid
CID 58460080
ethyl 2-[3-[2-[(benzylcarbamoylamino)methyl]-4-(trifluoromethyl)phenyl]-4-methoxyphenyl]acetate
CID 66606742
methyl 2-[3-[2-[(cyclopentylamino)methyl]-4-methylphenyl]-4-methoxyphenyl]acetate
CID 58149067
2-[3-[2-[[ethyl-(2-phenylsulfanylacetyl)amino]methyl]-4-methylphenyl]-4-methoxyphenyl]acetic acid
CID 58148939
2-[3-[2-[[acetyl(methyl)amino]methyl]-4-methylphenyl]-4-methoxyphenyl]acetic acid
CID 58149215
2-[3-[2-[[ethyl(2-methylpropanoyl)amino]methyl]-4-methylphenyl]-4-methoxyphenyl]acetic acid
CID 58148904
2-[[4-(2-ethoxy-2-oxoethyl)phenoxy]methyl]benzoic acid
CID 154194947
ethyl 2-[5-[2-(ethylaminomethyl)-4-methylphenyl]-6-methoxy-3-pyridinyl]acetate
CID 58565023

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-methoxy-3-[4-methyl-2-(phenoxymethyl)phenyl]phenyl]acetate?
The IUPAC name of ethyl 2-[4-methoxy-3-[4-methyl-2-(phenoxymethyl)phenyl]phenyl]acetate (CID 58460068) is ethyl 2-[4-methoxy-3-[4-methyl-2-(phenoxymethyl)phenyl]phenyl]acetate.
What is the SMILES notation for ethyl 2-[4-methoxy-3-[4-methyl-2-(phenoxymethyl)phenyl]phenyl]acetate?
The canonical SMILES for ethyl 2-[4-methoxy-3-[4-methyl-2-(phenoxymethyl)phenyl]phenyl]acetate is CCOC(=O)Cc1ccc(OC)c(-c2ccc(C)cc2COc2ccccc2)c1.
What is the InChIKey of ethyl 2-[4-methoxy-3-[4-methyl-2-(phenoxymethyl)phenyl]phenyl]acetate?
The InChIKey is NKCYLOKZBCJTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26O4/c1-4-28-25(26)16-19-11-13-24(27-3)23(15-19)22-12-10-18(2)14-20(22)17-29-21-8-6-5-7-9-21/h5-15H,4,16-17H2,1-3H3.
What are the key properties of ethyl 2-[4-methoxy-3-[4-methyl-2-(phenoxymethyl)phenyl]phenyl]acetate?
ethyl 2-[4-methoxy-3-[4-methyl-2-(phenoxymethyl)phenyl]phenyl]acetate has a molecular weight of 390.48 g/mol, XLogP of 5.36, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-methoxy-3-[4-methyl-2-(phenoxymethyl)phenyl]phenyl]acetate is sourced from PubChem (CID 58460068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).