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

C26H30O3 — CID 3067162

IUPAC1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-propoxybenzene
SMILESCCCOc1ccc(C(C)(C)COCc2cccc(Oc3ccccc3)c2)cc1
InChIInChI=1S/C26H30O3/c1-4-17-28-23-15-13-22(14-16-23)26(2,3)20-27-19-21-9-8-12-25(18-21)29-24-10-6-5-7-11-24/h5-16,18H,4,17,19-20H2,1-3H3
InChIKeyHKOBKODJCMUGQJ-UHFFFAOYSA-N
MW390.52 g/mol
LogP6.76
Rot. Bonds10

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

1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-propoxybenzene (PubChem CID 3067162) has the molecular formula C26H30O3 and a molecular weight of 390.52 g/mol. Its IUPAC name is 1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-propoxybenzene.

Molecular Properties

Compound Name1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-propoxybenzene
PubChem CID3067162
Molecular FormulaC26H30O3
Molecular Weight390.52 g/mol
Exact Mass390.22
IUPAC Name1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-propoxybenzene
SMILESCCCOc1ccc(C(C)(C)COCc2cccc(Oc3ccccc3)c2)cc1
InChIInChI=1S/C26H30O3/c1-4-17-28-23-15-13-22(14-16-23)26(2,3)20-27-19-21-9-8-12-25(18-21)29-24-10-6-5-7-11-24/h5-16,18H,4,17,19-20H2,1-3H3
InChIKeyHKOBKODJCMUGQJ-UHFFFAOYSA-N
XLogP6.76
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.52
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-propoxybenzene 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-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-propoxybenzene?
The IUPAC name of 1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-propoxybenzene (CID 3067162) is 1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-propoxybenzene.
What is the SMILES notation for 1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-propoxybenzene?
The canonical SMILES for 1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-propoxybenzene is CCCOc1ccc(C(C)(C)COCc2cccc(Oc3ccccc3)c2)cc1.
What is the InChIKey of 1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-propoxybenzene?
The InChIKey is HKOBKODJCMUGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30O3/c1-4-17-28-23-15-13-22(14-16-23)26(2,3)20-27-19-21-9-8-12-25(18-21)29-24-10-6-5-7-11-24/h5-16,18H,4,17,19-20H2,1-3H3.
What are the key properties of 1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-propoxybenzene?
1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-propoxybenzene has a molecular weight of 390.52 g/mol, XLogP of 6.76, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-propoxybenzene is sourced from PubChem (CID 3067162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).