benzene;benzylbenzene;1-[2,2-dimethyl-3-(4-methylphenoxy)propoxy]-4-methylbenzene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;methoxymethane;1-methyl-4-[5-(4-methylphenoxy)pentoxy]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;phenoxybenzene

C194H262F6O13 — CID 159682951

IUPACbenzene;benzylbenzene;1-[2,2-dimethyl-3-(4-methylphenoxy)propoxy]-4-methylbenzene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;methoxymethane;1-methyl-4-[5-(4-methylphenoxy)pentoxy]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;phenoxybenzene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.COC.COC.COC.Cc1ccc(OCC(C)(C)COc2ccc(C)cc2)cc1.Cc1ccc(OCCCCCOc2ccc(C)cc2)cc1.Cc1ccc(Oc2ccc(C(C)(C)c3ccc(Oc4ccc(C)cc4)cc3)cc2)cc1.Cc1ccc(Oc2ccc(C(c3ccc(Oc4ccc(C)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1.c1ccc(Cc2ccccc2)cc1.c1ccc(Cc2ccccc2)cc1.c1ccc(Oc2ccccc2)cc1.c1ccc(Oc2ccccc2)cc1.c1ccccc1.c1ccccc1
InChIInChI=1S/C29H22F6O2.C29H28O2.2C19H24O2.2C13H12.2C12H10O.2C6H6.3C2H6O.15C2H6/c1-19-3-11-23(12-4-19)36-25-15-7-21(8-16-25)27(28(30,31)32,29(33,34)35)22-9-17-26(18-10-22)37-24-13-5-20(2)6-14-24;1-21-5-13-25(14-6-21)30-27-17-9-23(10-18-27)29(3,4)24-11-19-28(20-12-24)31-26-15-7-22(2)8-16-26;1-15-5-9-17(10-6-15)20-13-19(3,4)14-21-18-11-7-16(2)8-12-18;1-16-6-10-18(11-7-16)20-14-4-3-5-15-21-19-12-8-17(2)9-13-19;2*1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2*1-2-4-6-5-3-1;3*1-3-2;15*1-2/h3-18H,1-2H3;5-20H,1-4H3;5-12H,13-14H2,1-4H3;6-13H,3-5,14-15H2,1-2H3;2*1-10H,11H2;2*1-10H;2*1-6H;3*1-2H3;15*1-2H3
InChIKeyMVKVAJLKRARYJN-UHFFFAOYSA-N
MW2916.20 g/mol
LogP60.30
Rot. Bonds34

About benzene;benzylbenzene;1-[2,2-dimethyl-3-(4-methylphenoxy)propoxy]-4-methylbenzene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;methoxymethane;1-methyl-4-[5-(4-methylphenoxy)pentoxy]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;phenoxybenzene

benzene;benzylbenzene;1-[2,2-dimethyl-3-(4-methylphenoxy)propoxy]-4-methylbenzene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;methoxymethane;1-methyl-4-[5-(4-methylphenoxy)pentoxy]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;phenoxybenzene (PubChem CID 159682951) has the molecular formula C194H262F6O13 and a molecular weight of 2916.20 g/mol. Its IUPAC name is benzene;benzylbenzene;1-[2,2-dimethyl-3-(4-methylphenoxy)propoxy]-4-methylbenzene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;methoxymethane;1-methyl-4-[5-(4-methylphenoxy)pentoxy]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;phenoxybenzene.

Molecular Properties

Compound Namebenzene;benzylbenzene;1-[2,2-dimethyl-3-(4-methylphenoxy)propoxy]-4-methylbenzene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;methoxymethane;1-methyl-4-[5-(4-methylphenoxy)pentoxy]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;phenoxybenzene
PubChem CID159682951
Molecular FormulaC194H262F6O13
Molecular Weight2916.20 g/mol
Exact Mass2913.97
IUPAC Namebenzene;benzylbenzene;1-[2,2-dimethyl-3-(4-methylphenoxy)propoxy]-4-methylbenzene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;methoxymethane;1-methyl-4-[5-(4-methylphenoxy)pentoxy]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;phenoxybenzene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.COC.COC.COC.Cc1ccc(OCC(C)(C)COc2ccc(C)cc2)cc1.Cc1ccc(OCCCCCOc2ccc(C)cc2)cc1.Cc1ccc(Oc2ccc(C(C)(C)c3ccc(Oc4ccc(C)cc4)cc3)cc2)cc1.Cc1ccc(Oc2ccc(C(c3ccc(Oc4ccc(C)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1.c1ccc(Cc2ccccc2)cc1.c1ccc(Cc2ccccc2)cc1.c1ccc(Oc2ccccc2)cc1.c1ccc(Oc2ccccc2)cc1.c1ccccc1.c1ccccc1
InChIInChI=1S/C29H22F6O2.C29H28O2.2C19H24O2.2C13H12.2C12H10O.2C6H6.3C2H6O.15C2H6/c1-19-3-11-23(12-4-19)36-25-15-7-21(8-16-25)27(28(30,31)32,29(33,34)35)22-9-17-26(18-10-22)37-24-13-5-20(2)6-14-24;1-21-5-13-25(14-6-21)30-27-17-9-23(10-18-27)29(3,4)24-11-19-28(20-12-24)31-26-15-7-22(2)8-16-26;1-15-5-9-17(10-6-15)20-13-19(3,4)14-21-18-11-7-16(2)8-12-18;1-16-6-10-18(11-7-16)20-14-4-3-5-15-21-19-12-8-17(2)9-13-19;2*1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2*1-2-4-6-5-3-1;3*1-3-2;15*1-2/h3-18H,1-2H3;5-20H,1-4H3;5-12H,13-14H2,1-4H3;6-13H,3-5,14-15H2,1-2H3;2*1-10H,11H2;2*1-10H;2*1-6H;3*1-2H3;15*1-2H3
InChIKeyMVKVAJLKRARYJN-UHFFFAOYSA-N
XLogP60.30
TPSA119.99 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds34
Heavy Atoms213
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002916.20
LogP ≤ 560.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze benzene;benzylbenzene;1-[2,2-dimethyl-3-(4-methylphenoxy)propoxy]-4-methylbenzene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;methoxymethane;1-methyl-4-[5-(4-methylphenoxy)pentoxy]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;phenoxybenzene with MolForge

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Related Compounds

1-[4-[4-[2-[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;ethane;methanesulfonic acid
CID 90830034
1-[2,2-dimethyl-3-[4-(4-methylphenoxy)phenoxy]propoxy]-4-(4-methylphenoxy)benzene
CID 68643436
1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methylbenzene;1-methoxy-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methoxy-4-[2-[3-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]benzene
CID 159097892
3-[2,2-dimethyl-3-(3-methylphenoxy)propoxy]aniline;2,6-dimethyl-4-[2-[4-[2-(3,4,5-trimethylphenyl)propan-2-yl]phenyl]propan-2-yl]aniline;4-[4-(4-methylphenoxy)phenoxy]aniline;3-[4-[2-[4-(3-methylphenoxy)phenyl]propan-2-yl]phenoxy]aniline;3-[[4-[(4-methylphenyl)methyl]phenyl]methyl]aniline;4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]aniline
CID 159353900
1-[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)phenyl]propan-2-yl]-4-methylbenzene
CID 143291553
1-bromo-4-(4-bromophenoxy)benzene;1-bromo-4-[2-(4-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene
CID 91234372
1,4-bis[2-(4-methylphenyl)propan-2-yl]benzene;1-[2,2-dimethyl-3-(4-methylphenoxy)propoxy]-4-methylbenzene;bis(1,2,3,4,5,6-hexamethylbenzene);1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene;1-methyl-4-[4-(4-methylphenoxy)butoxy]benzene;1-methyl-4-[3-(4-methylphenoxy)propoxy]benzene;2,3,7,8-tetramethyldibenzothiophene 5,5-dioxide
CID 165041948
ethane;1-phenoxy-4-[(4-phenoxyphenyl)methyl]benzene
CID 143793194
1-methyl-4-(5-phenoxypentyl)benzene
CID 19755668
1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-[1-(4-methylphenyl)-1-phenylethyl]benzene
CID 158299637
1,3,5-tris[4-[4-[2-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenyl]propan-2-yl]phenoxy]phenoxy]benzene
CID 102304470
1-methyl-4-[4-[1,1,1-trifluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene
CID 58413473

Frequently Asked Questions

What is the IUPAC name of benzene;benzylbenzene;1-[2,2-dimethyl-3-(4-methylphenoxy)propoxy]-4-methylbenzene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;methoxymethane;1-methyl-4-[5-(4-methylphenoxy)pentoxy]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;phenoxybenzene?
The IUPAC name of benzene;benzylbenzene;1-[2,2-dimethyl-3-(4-methylphenoxy)propoxy]-4-methylbenzene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;methoxymethane;1-methyl-4-[5-(4-methylphenoxy)pentoxy]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;phenoxybenzene (CID 159682951) is benzene;benzylbenzene;1-[2,2-dimethyl-3-(4-methylphenoxy)propoxy]-4-methylbenzene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;methoxymethane;1-methyl-4-[5-(4-methylphenoxy)pentoxy]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;phenoxybenzene.
What is the SMILES notation for benzene;benzylbenzene;1-[2,2-dimethyl-3-(4-methylphenoxy)propoxy]-4-methylbenzene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;methoxymethane;1-methyl-4-[5-(4-methylphenoxy)pentoxy]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;phenoxybenzene?
The canonical SMILES for benzene;benzylbenzene;1-[2,2-dimethyl-3-(4-methylphenoxy)propoxy]-4-methylbenzene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;methoxymethane;1-methyl-4-[5-(4-methylphenoxy)pentoxy]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;phenoxybenzene is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.COC.COC.COC.Cc1ccc(OCC(C)(C)COc2ccc(C)cc2)cc1.Cc1ccc(OCCCCCOc2ccc(C)cc2)cc1.Cc1ccc(Oc2ccc(C(C)(C)c3ccc(Oc4ccc(C)cc4)cc3)cc2)cc1.Cc1ccc(Oc2ccc(C(c3ccc(Oc4ccc(C)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1.c1ccc(Cc2ccccc2)cc1.c1ccc(Cc2ccccc2)cc1.c1ccc(Oc2ccccc2)cc1.c1ccc(Oc2ccccc2)cc1.c1ccccc1.c1ccccc1.
What is the InChIKey of benzene;benzylbenzene;1-[2,2-dimethyl-3-(4-methylphenoxy)propoxy]-4-methylbenzene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;methoxymethane;1-methyl-4-[5-(4-methylphenoxy)pentoxy]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;phenoxybenzene?
The InChIKey is MVKVAJLKRARYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22F6O2.C29H28O2.2C19H24O2.2C13H12.2C12H10O.2C6H6.3C2H6O.15C2H6/c1-19-3-11-23(12-4-19)36-25-15-7-21(8-16-25)27(28(30,31)32,29(33,34)35)22-9-17-26(18-10-22)37-24-13-5-20(2)6-14-24;1-21-5-13-25(14-6-21)30-27-17-9-23(10-18-27)29(3,4)24-11-19-28(20-12-24)31-26-15-7-22(2)8-16-26;1-15-5-9-17(10-6-15)20-13-19(3,4)14-21-18-11-7-16(2)8-12-18;1-16-6-10-18(11-7-16)20-14-4-3-5-15-21-19-12-8-17(2)9-13-19;2*1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2*1-2-4-6-5-3-1;3*1-3-2;15*1-2/h3-18H,1-2H3;5-20H,1-4H3;5-12H,13-14H2,1-4H3;6-13H,3-5,14-15H2,1-2H3;2*1-10H,11H2;2*1-10H;2*1-6H;3*1-2H3;15*1-2H3.
What are the key properties of benzene;benzylbenzene;1-[2,2-dimethyl-3-(4-methylphenoxy)propoxy]-4-methylbenzene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;methoxymethane;1-methyl-4-[5-(4-methylphenoxy)pentoxy]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;phenoxybenzene?
benzene;benzylbenzene;1-[2,2-dimethyl-3-(4-methylphenoxy)propoxy]-4-methylbenzene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;methoxymethane;1-methyl-4-[5-(4-methylphenoxy)pentoxy]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;phenoxybenzene has a molecular weight of 2916.20 g/mol, XLogP of 60.30, 34 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;benzylbenzene;1-[2,2-dimethyl-3-(4-methylphenoxy)propoxy]-4-methylbenzene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;methoxymethane;1-methyl-4-[5-(4-methylphenoxy)pentoxy]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;phenoxybenzene is sourced from PubChem (CID 159682951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).