2-(4-chlorophenyl)-1-[2-(4-chlorophenyl)-4-methylphenoxy]-4-methylbenzene

C26H20Cl2O — CID 23024265

IUPAC2-(4-chlorophenyl)-1-[2-(4-chlorophenyl)-4-methylphenoxy]-4-methylbenzene
SMILESCc1ccc(Oc2ccc(C)cc2-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C26H20Cl2O/c1-17-3-13-25(23(15-17)19-5-9-21(27)10-6-19)29-26-14-4-18(2)16-24(26)20-7-11-22(28)12-8-20/h3-16H,1-2H3
InChIKeyZPNISAVUAQVJGG-UHFFFAOYSA-N
MW419.35 g/mol
LogP8.74
Rot. Bonds4

About 2-(4-chlorophenyl)-1-[2-(4-chlorophenyl)-4-methylphenoxy]-4-methylbenzene

2-(4-chlorophenyl)-1-[2-(4-chlorophenyl)-4-methylphenoxy]-4-methylbenzene (PubChem CID 23024265) has the molecular formula C26H20Cl2O and a molecular weight of 419.35 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-[2-(4-chlorophenyl)-4-methylphenoxy]-4-methylbenzene.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-[2-(4-chlorophenyl)-4-methylphenoxy]-4-methylbenzene
PubChem CID23024265
Molecular FormulaC26H20Cl2O
Molecular Weight419.35 g/mol
Exact Mass418.09
IUPAC Name2-(4-chlorophenyl)-1-[2-(4-chlorophenyl)-4-methylphenoxy]-4-methylbenzene
SMILESCc1ccc(Oc2ccc(C)cc2-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C26H20Cl2O/c1-17-3-13-25(23(15-17)19-5-9-21(27)10-6-19)29-26-14-4-18(2)16-24(26)20-7-11-22(28)12-8-20/h3-16H,1-2H3
InChIKeyZPNISAVUAQVJGG-UHFFFAOYSA-N
XLogP8.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.35
LogP ≤ 58.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(4-chlorophenyl)methyl]-2H-chromene
CID 45272387
3-[(E)-2-(4-chlorophenyl)vinyl]-2H-chromene
CID 52941811
Benzene, 1-((2-(4-chlorophenyl)-2-methylpropoxy)methyl)-3-(4-methylphenoxy)-
CID 3067126
2-Chloro-9,10-bis(4-ethoxyphenyl)anthracene
CID 21715448
3-[(1E,3E)-4-(4-chlorophenyl)buta-1,3-dienyl]-2H-chromene
CID 52945641
3-[(E)-3-(4-chlorophenyl)prop-1-enyl]-2H-chromene
CID 57399281
2-[4-[(2,4-Dichlorophenyl)methoxy]-3-prop-2-enylphenyl]-4-prop-2-enylphenol
CID 156009916
3-(4-chlorophenyl)-2H-chromene
CID 500462
2-[(4-Chlorophenyl)-methoxymethyl]-4-ethyl-1-methoxybenzene
CID 15571456
6-(4-Chlorophenyl)-5,7-dimethyl-4-phenyl-chromen-2-one
CID 71549344
1,3-bis(4-chlorophenyl)-1H-benzo[f]chromene
CID 142767655
1-(4-chlorophenyl)-3-(4-methylphenyl)-1H-benzo[f]chromene
CID 142767658

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-[2-(4-chlorophenyl)-4-methylphenoxy]-4-methylbenzene?
The IUPAC name of 2-(4-chlorophenyl)-1-[2-(4-chlorophenyl)-4-methylphenoxy]-4-methylbenzene (CID 23024265) is 2-(4-chlorophenyl)-1-[2-(4-chlorophenyl)-4-methylphenoxy]-4-methylbenzene.
What is the SMILES notation for 2-(4-chlorophenyl)-1-[2-(4-chlorophenyl)-4-methylphenoxy]-4-methylbenzene?
The canonical SMILES for 2-(4-chlorophenyl)-1-[2-(4-chlorophenyl)-4-methylphenoxy]-4-methylbenzene is Cc1ccc(Oc2ccc(C)cc2-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)c1.
What is the InChIKey of 2-(4-chlorophenyl)-1-[2-(4-chlorophenyl)-4-methylphenoxy]-4-methylbenzene?
The InChIKey is ZPNISAVUAQVJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20Cl2O/c1-17-3-13-25(23(15-17)19-5-9-21(27)10-6-19)29-26-14-4-18(2)16-24(26)20-7-11-22(28)12-8-20/h3-16H,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-1-[2-(4-chlorophenyl)-4-methylphenoxy]-4-methylbenzene?
2-(4-chlorophenyl)-1-[2-(4-chlorophenyl)-4-methylphenoxy]-4-methylbenzene has a molecular weight of 419.35 g/mol, XLogP of 8.74, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-[2-(4-chlorophenyl)-4-methylphenoxy]-4-methylbenzene is sourced from PubChem (CID 23024265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).