1-methyl-4-[4-[2-[4-(3-methylpentan-3-yl)phenyl]propan-2-yl]phenoxy]benzene

C28H34O — CID 163745611

IUPAC1-methyl-4-[4-[2-[4-(3-methylpentan-3-yl)phenyl]propan-2-yl]phenoxy]benzene
SMILESCCC(C)(CC)c1ccc(C(C)(C)c2ccc(Oc3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C28H34O/c1-7-28(6,8-2)24-13-11-22(12-14-24)27(4,5)23-15-19-26(20-16-23)29-25-17-9-21(3)10-18-25/h9-20H,7-8H2,1-6H3
InChIKeyLLPFKLCLGNLZOH-UHFFFAOYSA-N
MW386.58 g/mol
LogP8.19
Rot. Bonds7

About 1-methyl-4-[4-[2-[4-(3-methylpentan-3-yl)phenyl]propan-2-yl]phenoxy]benzene

1-methyl-4-[4-[2-[4-(3-methylpentan-3-yl)phenyl]propan-2-yl]phenoxy]benzene (PubChem CID 163745611) has the molecular formula C28H34O and a molecular weight of 386.58 g/mol. Its IUPAC name is 1-methyl-4-[4-[2-[4-(3-methylpentan-3-yl)phenyl]propan-2-yl]phenoxy]benzene.

Molecular Properties

Compound Name1-methyl-4-[4-[2-[4-(3-methylpentan-3-yl)phenyl]propan-2-yl]phenoxy]benzene
PubChem CID163745611
Molecular FormulaC28H34O
Molecular Weight386.58 g/mol
Exact Mass386.26
IUPAC Name1-methyl-4-[4-[2-[4-(3-methylpentan-3-yl)phenyl]propan-2-yl]phenoxy]benzene
SMILESCCC(C)(CC)c1ccc(C(C)(C)c2ccc(Oc3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C28H34O/c1-7-28(6,8-2)24-13-11-22(12-14-24)27(4,5)23-15-19-26(20-16-23)29-25-17-9-21(3)10-18-25/h9-20H,7-8H2,1-6H3
InChIKeyLLPFKLCLGNLZOH-UHFFFAOYSA-N
XLogP8.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.58
LogP ≤ 58.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-methylpentan-3-yl)-4-[4-[2-[4-[4-(3-methylpentan-3-yl)phenoxy]phenyl]propan-2-yl]phenoxy]benzene
CID 143591790
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
4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]benzenethiol
CID 142069246
1-(4-methylphenoxy)-4-[4-[4-[2-[3-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]phenoxy]benzene
CID 159990763
1-methyl-4-[2-[4-[2-(4-methylphenyl)butan-2-yl]phenyl]propan-2-yl]benzene
CID 145063959
4-[2-(3,4-dimethylphenyl)butan-2-yl]-1,2-dimethylbenzene;1-methyl-4-(4-methylphenoxy)benzene
CID 159088211
1-methyl-4-[4-(2-methylbutan-2-yloxy)phenoxy]benzene
CID 145340247
butane;methane;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;propane
CID 159232750
1-methyl-4-[4-[1,1,1-trifluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene
CID 58413473
3-methyl-3-(4-methylphenyl)pentan-1-amine
CID 126514675
1-methyl-4-[4-[2-[4-[4-(3-methylpentan-3-yl)phenyl]sulfonylphenoxy]propan-2-yl]phenyl]sulfonylbenzene
CID 70799182
4-[4-(4-aminophenoxy)phenoxy]aniline;4-[4-[2-[4-(4-aminophenoxy)phenyl]propan-2-yl]phenoxy]aniline
CID 69301255

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-[2-[4-(3-methylpentan-3-yl)phenyl]propan-2-yl]phenoxy]benzene?
The IUPAC name of 1-methyl-4-[4-[2-[4-(3-methylpentan-3-yl)phenyl]propan-2-yl]phenoxy]benzene (CID 163745611) is 1-methyl-4-[4-[2-[4-(3-methylpentan-3-yl)phenyl]propan-2-yl]phenoxy]benzene.
What is the SMILES notation for 1-methyl-4-[4-[2-[4-(3-methylpentan-3-yl)phenyl]propan-2-yl]phenoxy]benzene?
The canonical SMILES for 1-methyl-4-[4-[2-[4-(3-methylpentan-3-yl)phenyl]propan-2-yl]phenoxy]benzene is CCC(C)(CC)c1ccc(C(C)(C)c2ccc(Oc3ccc(C)cc3)cc2)cc1.
What is the InChIKey of 1-methyl-4-[4-[2-[4-(3-methylpentan-3-yl)phenyl]propan-2-yl]phenoxy]benzene?
The InChIKey is LLPFKLCLGNLZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34O/c1-7-28(6,8-2)24-13-11-22(12-14-24)27(4,5)23-15-19-26(20-16-23)29-25-17-9-21(3)10-18-25/h9-20H,7-8H2,1-6H3.
What are the key properties of 1-methyl-4-[4-[2-[4-(3-methylpentan-3-yl)phenyl]propan-2-yl]phenoxy]benzene?
1-methyl-4-[4-[2-[4-(3-methylpentan-3-yl)phenyl]propan-2-yl]phenoxy]benzene has a molecular weight of 386.58 g/mol, XLogP of 8.19, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-[2-[4-(3-methylpentan-3-yl)phenyl]propan-2-yl]phenoxy]benzene is sourced from PubChem (CID 163745611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).