1-(2,3-dimethylbutan-2-yl)-4-(2-phenylpropan-2-yloxy)benzene

C21H28O — CID 143658209

IUPAC1-(2,3-dimethylbutan-2-yl)-4-(2-phenylpropan-2-yloxy)benzene
SMILESCC(C)C(C)(C)c1ccc(OC(C)(C)c2ccccc2)cc1
InChIInChI=1S/C21H28O/c1-16(2)20(3,4)17-12-14-19(15-13-17)22-21(5,6)18-10-8-7-9-11-18/h7-16H,1-6H3
InChIKeyPXTDQBMZDMKQIK-UHFFFAOYSA-N
MW296.45 g/mol
LogP5.93
Rot. Bonds5

About 1-(2,3-dimethylbutan-2-yl)-4-(2-phenylpropan-2-yloxy)benzene

1-(2,3-dimethylbutan-2-yl)-4-(2-phenylpropan-2-yloxy)benzene (PubChem CID 143658209) has the molecular formula C21H28O and a molecular weight of 296.45 g/mol. Its IUPAC name is 1-(2,3-dimethylbutan-2-yl)-4-(2-phenylpropan-2-yloxy)benzene.

Molecular Properties

Compound Name1-(2,3-dimethylbutan-2-yl)-4-(2-phenylpropan-2-yloxy)benzene
PubChem CID143658209
Molecular FormulaC21H28O
Molecular Weight296.45 g/mol
Exact Mass296.21
IUPAC Name1-(2,3-dimethylbutan-2-yl)-4-(2-phenylpropan-2-yloxy)benzene
SMILESCC(C)C(C)(C)c1ccc(OC(C)(C)c2ccccc2)cc1
InChIInChI=1S/C21H28O/c1-16(2)20(3,4)17-12-14-19(15-13-17)22-21(5,6)18-10-8-7-9-11-18/h7-16H,1-6H3
InChIKeyPXTDQBMZDMKQIK-UHFFFAOYSA-N
XLogP5.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.45
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[2-[4-(2-phenoxypropan-2-yl)phenoxy]propan-2-yl]benzoic acid
CID 142080279
2,3-dimethylbutan-2-ylbenzene;ethane;2-methylbutane
CID 142581096
[4-[4-[2-[4-[4-[4-[2-(4-benzoylphenoxy)propan-2-yl]phenoxy]benzoyl]phenoxy]propan-2-yl]phenoxy]phenyl]-phenylmethanone
CID 143546093
[4-[2-(4-iodophenyl)propan-2-yloxy]phenyl]-phenyliodanium
CID 167331565
1-tert-butyl-4-(2,3-dimethylbutan-2-yl)benzene;ethane
CID 145287481
1-fluoro-4-[2-(4-propan-2-ylphenoxy)propan-2-yl]benzene
CID 166842431
2-(2,3-dimethylbutan-2-yl)anthracene
CID 173439325
2-(2,3-dimethylbutan-2-ylperoxy)propan-2-ylbenzene
CID 71441209
3-(2-phenylpropan-2-yloxy)phenol
CID 54130894
1-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)-4-[(2-methylpropan-2-yl)oxy]benzene
CID 163451177
N,2,4-trimethyl-2-phenylhexan-3-amine
CID 79446708
2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
CID 174400461

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylbutan-2-yl)-4-(2-phenylpropan-2-yloxy)benzene?
The IUPAC name of 1-(2,3-dimethylbutan-2-yl)-4-(2-phenylpropan-2-yloxy)benzene (CID 143658209) is 1-(2,3-dimethylbutan-2-yl)-4-(2-phenylpropan-2-yloxy)benzene.
What is the SMILES notation for 1-(2,3-dimethylbutan-2-yl)-4-(2-phenylpropan-2-yloxy)benzene?
The canonical SMILES for 1-(2,3-dimethylbutan-2-yl)-4-(2-phenylpropan-2-yloxy)benzene is CC(C)C(C)(C)c1ccc(OC(C)(C)c2ccccc2)cc1.
What is the InChIKey of 1-(2,3-dimethylbutan-2-yl)-4-(2-phenylpropan-2-yloxy)benzene?
The InChIKey is PXTDQBMZDMKQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28O/c1-16(2)20(3,4)17-12-14-19(15-13-17)22-21(5,6)18-10-8-7-9-11-18/h7-16H,1-6H3.
What are the key properties of 1-(2,3-dimethylbutan-2-yl)-4-(2-phenylpropan-2-yloxy)benzene?
1-(2,3-dimethylbutan-2-yl)-4-(2-phenylpropan-2-yloxy)benzene has a molecular weight of 296.45 g/mol, XLogP of 5.93, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylbutan-2-yl)-4-(2-phenylpropan-2-yloxy)benzene is sourced from PubChem (CID 143658209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).