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

C26H30O3 — CID 3067191

IUPAC1-(1-methoxyethyl)-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene
SMILESCOC(C)c1ccc(C(C)(C)COCc2cccc(Oc3ccccc3)c2)cc1
InChIInChI=1S/C26H30O3/c1-20(27-4)22-13-15-23(16-14-22)26(2,3)19-28-18-21-9-8-12-25(17-21)29-24-10-6-5-7-11-24/h5-17,20H,18-19H2,1-4H3
InChIKeyLDNQDHITMCULEY-UHFFFAOYSA-N
MW390.52 g/mol
LogP6.68
Rot. Bonds9

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

1-(1-methoxyethyl)-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene (PubChem CID 3067191) has the molecular formula C26H30O3 and a molecular weight of 390.52 g/mol. Its IUPAC name is 1-(1-methoxyethyl)-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene.

Molecular Properties

Compound Name1-(1-methoxyethyl)-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene
PubChem CID3067191
Molecular FormulaC26H30O3
Molecular Weight390.52 g/mol
Exact Mass390.22
IUPAC Name1-(1-methoxyethyl)-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene
SMILESCOC(C)c1ccc(C(C)(C)COCc2cccc(Oc3ccccc3)c2)cc1
InChIInChI=1S/C26H30O3/c1-20(27-4)22-13-15-23(16-14-22)26(2,3)19-28-18-21-9-8-12-25(17-21)29-24-10-6-5-7-11-24/h5-17,20H,18-19H2,1-4H3
InChIKeyLDNQDHITMCULEY-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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxyethyl)-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene?
The IUPAC name of 1-(1-methoxyethyl)-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene (CID 3067191) is 1-(1-methoxyethyl)-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene.
What is the SMILES notation for 1-(1-methoxyethyl)-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene?
The canonical SMILES for 1-(1-methoxyethyl)-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene is COC(C)c1ccc(C(C)(C)COCc2cccc(Oc3ccccc3)c2)cc1.
What is the InChIKey of 1-(1-methoxyethyl)-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene?
The InChIKey is LDNQDHITMCULEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30O3/c1-20(27-4)22-13-15-23(16-14-22)26(2,3)19-28-18-21-9-8-12-25(17-21)29-24-10-6-5-7-11-24/h5-17,20H,18-19H2,1-4H3.
What are the key properties of 1-(1-methoxyethyl)-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene?
1-(1-methoxyethyl)-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-(1-methoxyethyl)-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene is sourced from PubChem (CID 3067191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).