1-[2,2-dimethyl-3-[4-(4-methylphenoxy)phenoxy]propoxy]-4-(4-methylphenoxy)benzene

C31H32O4 — CID 68643436

IUPAC1-[2,2-dimethyl-3-[4-(4-methylphenoxy)phenoxy]propoxy]-4-(4-methylphenoxy)benzene
SMILESCc1ccc(Oc2ccc(OCC(C)(C)COc3ccc(Oc4ccc(C)cc4)cc3)cc2)cc1
InChIInChI=1S/C31H32O4/c1-23-5-9-27(10-6-23)34-29-17-13-25(14-18-29)32-21-31(3,4)22-33-26-15-19-30(20-16-26)35-28-11-7-24(2)8-12-28/h5-20H,21-22H2,1-4H3
InChIKeyJZXQOKQHUIUFCM-UHFFFAOYSA-N
MW468.59 g/mol
LogP8.37
Rot. Bonds10

About 1-[2,2-dimethyl-3-[4-(4-methylphenoxy)phenoxy]propoxy]-4-(4-methylphenoxy)benzene

1-[2,2-dimethyl-3-[4-(4-methylphenoxy)phenoxy]propoxy]-4-(4-methylphenoxy)benzene (PubChem CID 68643436) has the molecular formula C31H32O4 and a molecular weight of 468.59 g/mol. Its IUPAC name is 1-[2,2-dimethyl-3-[4-(4-methylphenoxy)phenoxy]propoxy]-4-(4-methylphenoxy)benzene.

Molecular Properties

Compound Name1-[2,2-dimethyl-3-[4-(4-methylphenoxy)phenoxy]propoxy]-4-(4-methylphenoxy)benzene
PubChem CID68643436
Molecular FormulaC31H32O4
Molecular Weight468.59 g/mol
Exact Mass468.23
IUPAC Name1-[2,2-dimethyl-3-[4-(4-methylphenoxy)phenoxy]propoxy]-4-(4-methylphenoxy)benzene
SMILESCc1ccc(Oc2ccc(OCC(C)(C)COc3ccc(Oc4ccc(C)cc4)cc3)cc2)cc1
InChIInChI=1S/C31H32O4/c1-23-5-9-27(10-6-23)34-29-17-13-25(14-18-29)32-21-31(3,4)22-33-26-15-19-30(20-16-26)35-28-11-7-24(2)8-12-28/h5-20H,21-22H2,1-4H3
InChIKeyJZXQOKQHUIUFCM-UHFFFAOYSA-N
XLogP8.37
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.59
LogP ≤ 58.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-3-(4-methylphenoxy)propan-1-amine
CID 79004035
1-methyl-4-(4-methylphenoxy)benzene;dihydrofluoride
CID 174481204
2,2-dimethyl-3-(4-methylphenoxy)-N-(2-methylpropyl)propan-1-amine
CID 79627194
1-methyl-4-[4-(2-methylbutan-2-yloxy)phenoxy]benzene
CID 145340247
1-methyl-4-[4-[[4-[4-[[4-[4-[[4-(4-methylphenoxy)phenyl]methyl]phenoxy]phenyl]methyl]phenoxy]phenyl]methyl]phenoxy]benzene
CID 130432775
1-methyl-4-[2-[4-(4-methylphenoxy)phenyl]ethyl]benzene
CID 126542735
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
decane;1-methyl-4-(4-methylphenoxy)benzene;octane
CID 90840251
1-methyl-4-[4-[2-[4-(3-methylpentan-3-yl)phenyl]propan-2-yl]phenoxy]benzene
CID 163745611
4-methoxy-N-[4-[3-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenoxy]-2,2-dimethylpropoxy]phenyl]-N-(4-methoxyphenyl)aniline
CID 139670226
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 1-[2,2-dimethyl-3-[4-(4-methylphenoxy)phenoxy]propoxy]-4-(4-methylphenoxy)benzene?
The IUPAC name of 1-[2,2-dimethyl-3-[4-(4-methylphenoxy)phenoxy]propoxy]-4-(4-methylphenoxy)benzene (CID 68643436) is 1-[2,2-dimethyl-3-[4-(4-methylphenoxy)phenoxy]propoxy]-4-(4-methylphenoxy)benzene.
What is the SMILES notation for 1-[2,2-dimethyl-3-[4-(4-methylphenoxy)phenoxy]propoxy]-4-(4-methylphenoxy)benzene?
The canonical SMILES for 1-[2,2-dimethyl-3-[4-(4-methylphenoxy)phenoxy]propoxy]-4-(4-methylphenoxy)benzene is Cc1ccc(Oc2ccc(OCC(C)(C)COc3ccc(Oc4ccc(C)cc4)cc3)cc2)cc1.
What is the InChIKey of 1-[2,2-dimethyl-3-[4-(4-methylphenoxy)phenoxy]propoxy]-4-(4-methylphenoxy)benzene?
The InChIKey is JZXQOKQHUIUFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32O4/c1-23-5-9-27(10-6-23)34-29-17-13-25(14-18-29)32-21-31(3,4)22-33-26-15-19-30(20-16-26)35-28-11-7-24(2)8-12-28/h5-20H,21-22H2,1-4H3.
What are the key properties of 1-[2,2-dimethyl-3-[4-(4-methylphenoxy)phenoxy]propoxy]-4-(4-methylphenoxy)benzene?
1-[2,2-dimethyl-3-[4-(4-methylphenoxy)phenoxy]propoxy]-4-(4-methylphenoxy)benzene has a molecular weight of 468.59 g/mol, XLogP of 8.37, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-dimethyl-3-[4-(4-methylphenoxy)phenoxy]propoxy]-4-(4-methylphenoxy)benzene is sourced from PubChem (CID 68643436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).