1-(4-methylphenoxy)-4-[4-[4-[2-[3-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]phenoxy]benzene

C44H42O2 — CID 159990763

About 1-(4-methylphenoxy)-4-[4-[4-[2-[3-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]phenoxy]benzene

1-(4-methylphenoxy)-4-[4-[4-[2-[3-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]phenoxy]benzene (PubChem CID 159990763) has the molecular formula C44H42O2 and a molecular weight of 602.82 g/mol. Its IUPAC name is 1-(4-methylphenoxy)-4-[4-[4-[2-[3-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]phenoxy]benzene.

Molecular Properties

• Compound Name: 1-(4-methylphenoxy)-4-[4-[4-[2-[3-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]phenoxy]benzene
• PubChem CID: 159990763
• Molecular Formula: C44H42O2
• Molecular Weight: 602.82 g/mol
• Exact Mass: 602.32
• IUPAC Name: 1-(4-methylphenoxy)-4-[4-[4-[2-[3-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]phenoxy]benzene
• SMILES: Cc1ccc(Oc2ccc(Oc3ccc(-c4ccc(C(C)(C)c5cccc(C(C)(C)c6ccc(C)cc6)c5)cc4)cc3)cc2)cc1
• InChI: InChI=1S/C44H42O2/c1-31-10-18-35(19-11-31)43(3,4)37-8-7-9-38(30-37)44(5,6)36-20-14-33(15-21-36)34-16-24-40(25-17-34)46-42-28-26-41(27-29-42)45-39-22-12-32(2)13-23-39/h7-30H,1-6H3
• InChIKey: OGXNGPZNVMRSMO-UHFFFAOYSA-N
• XLogP: 12.21
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	602.82
LogP ≤ 5	12.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenoxy)-4-[4-[4-[2-[3-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]phenoxy]benzene?

The IUPAC name of 1-(4-methylphenoxy)-4-[4-[4-[2-[3-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]phenoxy]benzene (CID 159990763) is 1-(4-methylphenoxy)-4-[4-[4-[2-[3-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]phenoxy]benzene.

What is the SMILES notation for 1-(4-methylphenoxy)-4-[4-[4-[2-[3-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]phenoxy]benzene?

The canonical SMILES for 1-(4-methylphenoxy)-4-[4-[4-[2-[3-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]phenoxy]benzene is Cc1ccc(Oc2ccc(Oc3ccc(-c4ccc(C(C)(C)c5cccc(C(C)(C)c6ccc(C)cc6)c5)cc4)cc3)cc2)cc1.

What is the InChIKey of 1-(4-methylphenoxy)-4-[4-[4-[2-[3-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]phenoxy]benzene?

The InChIKey is OGXNGPZNVMRSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H42O2/c1-31-10-18-35(19-11-31)43(3,4)37-8-7-9-38(30-37)44(5,6)36-20-14-33(15-21-36)34-16-24-40(25-17-34)46-42-28-26-41(27-29-42)45-39-22-12-32(2)13-23-39/h7-30H,1-6H3.

What are the key properties of 1-(4-methylphenoxy)-4-[4-[4-[2-[3-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]phenoxy]benzene?

1-(4-methylphenoxy)-4-[4-[4-[2-[3-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]phenoxy]benzene has a molecular weight of 602.82 g/mol, XLogP of 12.21, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-methylphenoxy)-4-[4-[4-[2-[3-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]phenoxy]benzene is sourced from PubChem (CID 159990763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).