1-(2,2-dimethylpropyl)-4-[4-(2-methylpropyl)phenoxy]benzene

C21H28O — CID 126736482

IUPAC1-(2,2-dimethylpropyl)-4-[4-(2-methylpropyl)phenoxy]benzene
SMILESCC(C)Cc1ccc(Oc2ccc(CC(C)(C)C)cc2)cc1
InChIInChI=1S/C21H28O/c1-16(2)14-17-6-10-19(11-7-17)22-20-12-8-18(9-13-20)15-21(3,4)5/h6-13,16H,14-15H2,1-5H3
InChIKeyIVEPQPFJLQKTME-UHFFFAOYSA-N
MW296.45 g/mol
LogP6.27
Rot. Bonds5

About 1-(2,2-dimethylpropyl)-4-[4-(2-methylpropyl)phenoxy]benzene

1-(2,2-dimethylpropyl)-4-[4-(2-methylpropyl)phenoxy]benzene (PubChem CID 126736482) has the molecular formula C21H28O and a molecular weight of 296.45 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-4-[4-(2-methylpropyl)phenoxy]benzene.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-4-[4-(2-methylpropyl)phenoxy]benzene
PubChem CID126736482
Molecular FormulaC21H28O
Molecular Weight296.45 g/mol
Exact Mass296.21
IUPAC Name1-(2,2-dimethylpropyl)-4-[4-(2-methylpropyl)phenoxy]benzene
SMILESCC(C)Cc1ccc(Oc2ccc(CC(C)(C)C)cc2)cc1
InChIInChI=1S/C21H28O/c1-16(2)14-17-6-10-19(11-7-17)22-20-12-8-18(9-13-20)15-21(3,4)5/h6-13,16H,14-15H2,1-5H3
InChIKeyIVEPQPFJLQKTME-UHFFFAOYSA-N
XLogP6.27
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 ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-dichloro-5-[4-(2-methylpropyl)phenoxy]benzene
CID 22087476
2,2-dimethyl-3-[4-(2-methylpropyl)phenyl]propan-1-amine
CID 95443580
1-(2-methylpropyl)-4-[4-(4-phenoxyphenyl)sulfonylphenoxy]benzene
CID 139568524
1-(2-methylpropyl)-4-(3-phenylphenoxy)benzene
CID 90895465
1,3,5-trifluoro-2-[4-(2-methylpropyl)phenoxy]benzene
CID 178142552
2,2-dimethyl-3-[4-(2-methylpropyl)phenyl]propanoic acid
CID 82290776
1-dichlorophosphoryloxy-4-(2-methylpropyl)benzene
CID 139754036
acetic acid;1,4-bis(2,2-dimethylpropyl)benzene;1-tert-butyl-4-(4-tert-butylphenyl)benzene;1-(2,2-dimethylpropyl)-4-[4-(2,2-dimethylpropyl)phenoxy]benzene;1-(2,2-dimethylpropyl)-4-[4-(2,2-dimethylpropyl)phenyl]benzene;methane
CID 159068746
4-[4-(2-methylpropyl)phenoxy]-2H-triazole
CID 155653535
1-(2,2-dimethylpropyl)-4-propan-2-ylbenzene;methane
CID 166076943
2-[4-(2-methylpropyl)phenyl]butan-2-ol
CID 91656197
ethane;1-(1-fluoroethoxy)-4-(2-methylpropyl)benzene
CID 170577342

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-4-[4-(2-methylpropyl)phenoxy]benzene?
The IUPAC name of 1-(2,2-dimethylpropyl)-4-[4-(2-methylpropyl)phenoxy]benzene (CID 126736482) is 1-(2,2-dimethylpropyl)-4-[4-(2-methylpropyl)phenoxy]benzene.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-4-[4-(2-methylpropyl)phenoxy]benzene?
The canonical SMILES for 1-(2,2-dimethylpropyl)-4-[4-(2-methylpropyl)phenoxy]benzene is CC(C)Cc1ccc(Oc2ccc(CC(C)(C)C)cc2)cc1.
What is the InChIKey of 1-(2,2-dimethylpropyl)-4-[4-(2-methylpropyl)phenoxy]benzene?
The InChIKey is IVEPQPFJLQKTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28O/c1-16(2)14-17-6-10-19(11-7-17)22-20-12-8-18(9-13-20)15-21(3,4)5/h6-13,16H,14-15H2,1-5H3.
What are the key properties of 1-(2,2-dimethylpropyl)-4-[4-(2-methylpropyl)phenoxy]benzene?
1-(2,2-dimethylpropyl)-4-[4-(2-methylpropyl)phenoxy]benzene has a molecular weight of 296.45 g/mol, XLogP of 6.27, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-4-[4-(2-methylpropyl)phenoxy]benzene is sourced from PubChem (CID 126736482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).