1-ethoxy-2-methyl-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene

C26H30O3 — CID 3027267

IUPAC1-ethoxy-2-methyl-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene
SMILESCCOc1ccc(C(C)(C)COCc2cccc(Oc3ccccc3)c2)cc1C
InChIInChI=1S/C26H30O3/c1-5-28-25-15-14-22(16-20(25)2)26(3,4)19-27-18-21-10-9-13-24(17-21)29-23-11-7-6-8-12-23/h6-17H,5,18-19H2,1-4H3
InChIKeyWMIYCPXSVSJHEQ-UHFFFAOYSA-N
MW390.52 g/mol
LogP6.68
Rot. Bonds9

About 1-ethoxy-2-methyl-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene

1-ethoxy-2-methyl-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene (PubChem CID 3027267) has the molecular formula C26H30O3 and a molecular weight of 390.52 g/mol. Its IUPAC name is 1-ethoxy-2-methyl-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene.

Molecular Properties

Compound Name1-ethoxy-2-methyl-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene
PubChem CID3027267
Molecular FormulaC26H30O3
Molecular Weight390.52 g/mol
Exact Mass390.22
IUPAC Name1-ethoxy-2-methyl-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene
SMILESCCOc1ccc(C(C)(C)COCc2cccc(Oc3ccccc3)c2)cc1C
InChIInChI=1S/C26H30O3/c1-5-28-25-15-14-22(16-20(25)2)26(3,4)19-27-18-21-10-9-13-24(17-21)29-23-11-7-6-8-12-23/h6-17H,5,18-19H2,1-4H3
InChIKeyWMIYCPXSVSJHEQ-UHFFFAOYSA-N
XLogP6.68
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.52
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-ethoxy-2-methyl-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2-methyl-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene?
The IUPAC name of 1-ethoxy-2-methyl-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene (CID 3027267) is 1-ethoxy-2-methyl-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene.
What is the SMILES notation for 1-ethoxy-2-methyl-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene?
The canonical SMILES for 1-ethoxy-2-methyl-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene is CCOc1ccc(C(C)(C)COCc2cccc(Oc3ccccc3)c2)cc1C.
What is the InChIKey of 1-ethoxy-2-methyl-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene?
The InChIKey is WMIYCPXSVSJHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30O3/c1-5-28-25-15-14-22(16-20(25)2)26(3,4)19-27-18-21-10-9-13-24(17-21)29-23-11-7-6-8-12-23/h6-17H,5,18-19H2,1-4H3.
What are the key properties of 1-ethoxy-2-methyl-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene?
1-ethoxy-2-methyl-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene has a molecular weight of 390.52 g/mol, XLogP of 6.68, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-methyl-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene is sourced from PubChem (CID 3027267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).