1-(2,2-dimethylpropyl)-2-methyl-3-phenylbenzene

C18H22 — CID 140963589

IUPAC1-(2,2-dimethylpropyl)-2-methyl-3-phenylbenzene
SMILESCc1c(CC(C)(C)C)cccc1-c1ccccc1
InChIInChI=1S/C18H22/c1-14-16(13-18(2,3)4)11-8-12-17(14)15-9-6-5-7-10-15/h5-12H,13H2,1-4H3
InChIKeyIISLULNZGPEELD-UHFFFAOYSA-N
MW238.37 g/mol
LogP5.25
Rot. Bonds2

About 1-(2,2-dimethylpropyl)-2-methyl-3-phenylbenzene

1-(2,2-dimethylpropyl)-2-methyl-3-phenylbenzene (PubChem CID 140963589) has the molecular formula C18H22 and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-2-methyl-3-phenylbenzene.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-2-methyl-3-phenylbenzene
PubChem CID140963589
Molecular FormulaC18H22
Molecular Weight238.37 g/mol
Exact Mass238.17
IUPAC Name1-(2,2-dimethylpropyl)-2-methyl-3-phenylbenzene
SMILESCc1c(CC(C)(C)C)cccc1-c1ccccc1
InChIInChI=1S/C18H22/c1-14-16(13-18(2,3)4)11-8-12-17(14)15-9-6-5-7-10-15/h5-12H,13H2,1-4H3
InChIKeyIISLULNZGPEELD-UHFFFAOYSA-N
XLogP5.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.37
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(2,2-dimethylpropyl)-2-(4-methylphenyl)benzene;methane
CID 161201714
1-tert-butyl-2-methyl-3-phenylbenzene
CID 58759488
4-[2-(2,2-dimethylpropyl)phenyl]pyridine
CID 155206969
1-(2,2-dimethylpropyl)-2-methylbenzene
CID 21464495
1-[[2-(4-ethoxyphenyl)-2-methylpropoxy]methyl]-2-methyl-3-phenylbenzene
CID 13375946
3-(2,2-dimethylpropyl)-4-phenylphenol
CID 91175347
1,2-dimethyl-3-phenylbenzene;ethane
CID 90738674
1,1'-biphenyl;1,2-dimethyl-3-phenylbenzene
CID 173440409
2,2-dimethyl-1-(2-methyl-3-phenylphenyl)butan-1-one
CID 146007407
tert-butyl-(2-methyl-3-phenylphenyl)phosphane
CID 68718272
3-[2-methyl-3-(4-phenylphenyl)phenyl]propanamide
CID 67666243
2-[(2-methyl-3-phenylphenyl)methoxy]isoindole-1,3-dione
CID 134107407

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-2-methyl-3-phenylbenzene?
The IUPAC name of 1-(2,2-dimethylpropyl)-2-methyl-3-phenylbenzene (CID 140963589) is 1-(2,2-dimethylpropyl)-2-methyl-3-phenylbenzene.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-2-methyl-3-phenylbenzene?
The canonical SMILES for 1-(2,2-dimethylpropyl)-2-methyl-3-phenylbenzene is Cc1c(CC(C)(C)C)cccc1-c1ccccc1.
What is the InChIKey of 1-(2,2-dimethylpropyl)-2-methyl-3-phenylbenzene?
The InChIKey is IISLULNZGPEELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22/c1-14-16(13-18(2,3)4)11-8-12-17(14)15-9-6-5-7-10-15/h5-12H,13H2,1-4H3.
What are the key properties of 1-(2,2-dimethylpropyl)-2-methyl-3-phenylbenzene?
1-(2,2-dimethylpropyl)-2-methyl-3-phenylbenzene has a molecular weight of 238.37 g/mol, XLogP of 5.25, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-2-methyl-3-phenylbenzene is sourced from PubChem (CID 140963589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).