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

C29H28O3 — CID 3067181

IUPAC1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-phenoxybenzene
SMILESCC(C)(COCc1cccc(Oc2ccccc2)c1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C29H28O3/c1-29(2,24-16-18-27(19-17-24)31-25-11-5-3-6-12-25)22-30-21-23-10-9-15-28(20-23)32-26-13-7-4-8-14-26/h3-20H,21-22H2,1-2H3
InChIKeyQJDSRVNJUVWIEG-UHFFFAOYSA-N
MW424.54 g/mol
LogP7.77
Rot. Bonds9

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

1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-phenoxybenzene (PubChem CID 3067181) has the molecular formula C29H28O3 and a molecular weight of 424.54 g/mol. Its IUPAC name is 1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-phenoxybenzene.

Molecular Properties

Compound Name1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-phenoxybenzene
PubChem CID3067181
Molecular FormulaC29H28O3
Molecular Weight424.54 g/mol
Exact Mass424.20
IUPAC Name1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-phenoxybenzene
SMILESCC(C)(COCc1cccc(Oc2ccccc2)c1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C29H28O3/c1-29(2,24-16-18-27(19-17-24)31-25-11-5-3-6-12-25)22-30-21-23-10-9-15-28(20-23)32-26-13-7-4-8-14-26/h3-20H,21-22H2,1-2H3
InChIKeyQJDSRVNJUVWIEG-UHFFFAOYSA-N
XLogP7.77
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.54
LogP ≤ 57.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-phenoxybenzene 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-phenoxybenzene?
The IUPAC name of 1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-phenoxybenzene (CID 3067181) is 1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-phenoxybenzene.
What is the SMILES notation for 1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-phenoxybenzene?
The canonical SMILES for 1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-phenoxybenzene is CC(C)(COCc1cccc(Oc2ccccc2)c1)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-phenoxybenzene?
The InChIKey is QJDSRVNJUVWIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28O3/c1-29(2,24-16-18-27(19-17-24)31-25-11-5-3-6-12-25)22-30-21-23-10-9-15-28(20-23)32-26-13-7-4-8-14-26/h3-20H,21-22H2,1-2H3.
What are the key properties of 1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-phenoxybenzene?
1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-phenoxybenzene has a molecular weight of 424.54 g/mol, XLogP of 7.77, 9 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-phenoxybenzene is sourced from PubChem (CID 3067181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).