4-methyl-2-[2-(5-methyl-2-phenoxyphenyl)phenyl]-1-phenoxybenzene

C32H26O2 — CID 87662305

IUPAC4-methyl-2-[2-(5-methyl-2-phenoxyphenyl)phenyl]-1-phenoxybenzene
SMILESCc1ccc(Oc2ccccc2)c(-c2ccccc2-c2cc(C)ccc2Oc2ccccc2)c1
InChIInChI=1S/C32H26O2/c1-23-17-19-31(33-25-11-5-3-6-12-25)29(21-23)27-15-9-10-16-28(27)30-22-24(2)18-20-32(30)34-26-13-7-4-8-14-26/h3-22H,1-2H3
InChIKeyJGCJLIUVZAISMU-UHFFFAOYSA-N
MW442.56 g/mol
LogP9.22
Rot. Bonds6

About 4-methyl-2-[2-(5-methyl-2-phenoxyphenyl)phenyl]-1-phenoxybenzene

4-methyl-2-[2-(5-methyl-2-phenoxyphenyl)phenyl]-1-phenoxybenzene (PubChem CID 87662305) has the molecular formula C32H26O2 and a molecular weight of 442.56 g/mol. Its IUPAC name is 4-methyl-2-[2-(5-methyl-2-phenoxyphenyl)phenyl]-1-phenoxybenzene.

Molecular Properties

Compound Name4-methyl-2-[2-(5-methyl-2-phenoxyphenyl)phenyl]-1-phenoxybenzene
PubChem CID87662305
Molecular FormulaC32H26O2
Molecular Weight442.56 g/mol
Exact Mass442.19
IUPAC Name4-methyl-2-[2-(5-methyl-2-phenoxyphenyl)phenyl]-1-phenoxybenzene
SMILESCc1ccc(Oc2ccccc2)c(-c2ccccc2-c2cc(C)ccc2Oc2ccccc2)c1
InChIInChI=1S/C32H26O2/c1-23-17-19-31(33-25-11-5-3-6-12-25)29(21-23)27-15-9-10-16-28(27)30-22-24(2)18-20-32(30)34-26-13-7-4-8-14-26/h3-22H,1-2H3
InChIKeyJGCJLIUVZAISMU-UHFFFAOYSA-N
XLogP9.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.56
LogP ≤ 59.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-1-(2-phenylphenoxy)-2-(2-phenylphenyl)benzene
CID 68742549
1-(4-fluorophenoxy)-4-methyl-2-(2-methylphenyl)benzene
CID 142805092
4-methyl-1-phenoxy-2-propan-2-ylbenzene
CID 54452186
5-methyl-2-phenoxybenzenediazonium
CID 10399706
1,4-bis(4-methylphenoxy)-2-phenylbenzene;ethane
CID 144542678
3-(5-methyl-2-phenoxyphenyl)isochromen-1-one
CID 132505094
5-methyl-2-phenoxybenzenesulfonic acid
CID 150904411
1-(4-methylphenyl)-4-phenoxynaphthalene
CID 174669549
1-(4,5-dimethoxy-2-phenoxyphenyl)-4,5-dimethoxy-2-phenoxybenzene
CID 11419749
4-methoxy-1-[4-(4-methylphenyl)phenoxy]-2-phenylbenzene
CID 23542258
N-(5-methyl-2-phenoxyphenyl)formamide
CID 2336214
1,4-bis(2-phenoxyphenyl)benzene
CID 57271203

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-(5-methyl-2-phenoxyphenyl)phenyl]-1-phenoxybenzene?
The IUPAC name of 4-methyl-2-[2-(5-methyl-2-phenoxyphenyl)phenyl]-1-phenoxybenzene (CID 87662305) is 4-methyl-2-[2-(5-methyl-2-phenoxyphenyl)phenyl]-1-phenoxybenzene.
What is the SMILES notation for 4-methyl-2-[2-(5-methyl-2-phenoxyphenyl)phenyl]-1-phenoxybenzene?
The canonical SMILES for 4-methyl-2-[2-(5-methyl-2-phenoxyphenyl)phenyl]-1-phenoxybenzene is Cc1ccc(Oc2ccccc2)c(-c2ccccc2-c2cc(C)ccc2Oc2ccccc2)c1.
What is the InChIKey of 4-methyl-2-[2-(5-methyl-2-phenoxyphenyl)phenyl]-1-phenoxybenzene?
The InChIKey is JGCJLIUVZAISMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26O2/c1-23-17-19-31(33-25-11-5-3-6-12-25)29(21-23)27-15-9-10-16-28(27)30-22-24(2)18-20-32(30)34-26-13-7-4-8-14-26/h3-22H,1-2H3.
What are the key properties of 4-methyl-2-[2-(5-methyl-2-phenoxyphenyl)phenyl]-1-phenoxybenzene?
4-methyl-2-[2-(5-methyl-2-phenoxyphenyl)phenyl]-1-phenoxybenzene has a molecular weight of 442.56 g/mol, XLogP of 9.22, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-(5-methyl-2-phenoxyphenyl)phenyl]-1-phenoxybenzene is sourced from PubChem (CID 87662305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).