1,4-bis(4-methylphenoxy)-2-phenylbenzene;ethane

C28H28O2 — CID 144542678

IUPAC1,4-bis(4-methylphenoxy)-2-phenylbenzene;ethane
SMILESCC.Cc1ccc(Oc2ccc(Oc3ccc(C)cc3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C26H22O2.C2H6/c1-19-8-12-22(13-9-19)27-24-16-17-26(28-23-14-10-20(2)11-15-23)25(18-24)21-6-4-3-5-7-21;1-2/h3-18H,1-2H3;1-2H3
InChIKeyZETGCQKRSLQDHF-UHFFFAOYSA-N
MW396.53 g/mol
LogP8.58
Rot. Bonds5

About 1,4-bis(4-methylphenoxy)-2-phenylbenzene;ethane

1,4-bis(4-methylphenoxy)-2-phenylbenzene;ethane (PubChem CID 144542678) has the molecular formula C28H28O2 and a molecular weight of 396.53 g/mol. Its IUPAC name is 1,4-bis(4-methylphenoxy)-2-phenylbenzene;ethane.

Molecular Properties

Compound Name1,4-bis(4-methylphenoxy)-2-phenylbenzene;ethane
PubChem CID144542678
Molecular FormulaC28H28O2
Molecular Weight396.53 g/mol
Exact Mass396.21
IUPAC Name1,4-bis(4-methylphenoxy)-2-phenylbenzene;ethane
SMILESCC.Cc1ccc(Oc2ccc(Oc3ccc(C)cc3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C26H22O2.C2H6/c1-19-8-12-22(13-9-19)27-24-16-17-26(28-23-14-10-20(2)11-15-23)25(18-24)21-6-4-3-5-7-21;1-2/h3-18H,1-2H3;1-2H3
InChIKeyZETGCQKRSLQDHF-UHFFFAOYSA-N
XLogP8.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.53
LogP ≤ 58.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-1-[4-(4-methylphenyl)phenoxy]-2-phenylbenzene
CID 23542258
[4-[4-[4-[4-(4-methylbenzoyl)phenoxy]-3-phenylphenyl]-2-phenylphenoxy]phenyl]-(4-methylphenyl)methanone
CID 59847031
4-[4-[(4-methylphenyl)methyl]phenoxy]-3-phenylphenol
CID 143612086
4-[4-(4-carbonochloridoylphenoxy)-3-phenylphenoxy]benzoyl chloride
CID 101011694
ethane;1-methyl-4-(4-methylphenyl)benzene;phenoxybenzene
CID 142829586
1-(4-methylphenyl)-4-phenoxynaphthalene
CID 174669549
4-methyl-2-[2-(5-methyl-2-phenoxyphenyl)phenyl]-1-phenoxybenzene
CID 87662305
2-(4-methoxyphenyl)-3-[4-[4-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenoxy]-3-phenylphenyl]-2-phenylphenoxy]phenyl]sulfonylphenoxy]phenyl]quinoxaline
CID 88530720
1-(2,4-diphenylphenoxy)-2,4-diphenylbenzene
CID 90004343
2-[4-(4-methoxy-3-phenylphenoxy)phenyl]ethanamine
CID 68544414
ethane;methane;1-methyl-4-phenylbenzene
CID 143611995
ethoxyethane;1-methyl-4-(4-phenylphenoxy)benzene
CID 67262862

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(4-methylphenoxy)-2-phenylbenzene;ethane?
The IUPAC name of 1,4-bis(4-methylphenoxy)-2-phenylbenzene;ethane (CID 144542678) is 1,4-bis(4-methylphenoxy)-2-phenylbenzene;ethane.
What is the SMILES notation for 1,4-bis(4-methylphenoxy)-2-phenylbenzene;ethane?
The canonical SMILES for 1,4-bis(4-methylphenoxy)-2-phenylbenzene;ethane is CC.Cc1ccc(Oc2ccc(Oc3ccc(C)cc3)c(-c3ccccc3)c2)cc1.
What is the InChIKey of 1,4-bis(4-methylphenoxy)-2-phenylbenzene;ethane?
The InChIKey is ZETGCQKRSLQDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22O2.C2H6/c1-19-8-12-22(13-9-19)27-24-16-17-26(28-23-14-10-20(2)11-15-23)25(18-24)21-6-4-3-5-7-21;1-2/h3-18H,1-2H3;1-2H3.
What are the key properties of 1,4-bis(4-methylphenoxy)-2-phenylbenzene;ethane?
1,4-bis(4-methylphenoxy)-2-phenylbenzene;ethane has a molecular weight of 396.53 g/mol, XLogP of 8.58, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(4-methylphenoxy)-2-phenylbenzene;ethane is sourced from PubChem (CID 144542678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).