1-methyl-4-(2-phenylbutan-2-yl)benzene

C17H20 — CID 173298051

IUPAC1-methyl-4-(2-phenylbutan-2-yl)benzene
SMILESCCC(C)(c1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C17H20/c1-4-17(3,15-8-6-5-7-9-15)16-12-10-14(2)11-13-16/h5-13H,4H2,1-3H3
InChIKeyTUVODFXCXMUBKG-UHFFFAOYSA-N
MW224.35 g/mol
LogP4.71
Rot. Bonds3

About 1-methyl-4-(2-phenylbutan-2-yl)benzene

1-methyl-4-(2-phenylbutan-2-yl)benzene (PubChem CID 173298051) has the molecular formula C17H20 and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-methyl-4-(2-phenylbutan-2-yl)benzene.

Molecular Properties

Compound Name1-methyl-4-(2-phenylbutan-2-yl)benzene
PubChem CID173298051
Molecular FormulaC17H20
Molecular Weight224.35 g/mol
Exact Mass224.16
IUPAC Name1-methyl-4-(2-phenylbutan-2-yl)benzene
SMILESCCC(C)(c1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C17H20/c1-4-17(3,15-8-6-5-7-9-15)16-12-10-14(2)11-13-16/h5-13H,4H2,1-3H3
InChIKeyTUVODFXCXMUBKG-UHFFFAOYSA-N
XLogP4.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-4-[2-[4-[2-(4-methylphenyl)butan-2-yl]phenyl]propan-2-yl]benzene
CID 145063959
1-(2-phenylbutan-2-yl)-4-[4-(2-phenylpropan-2-yl)phenyl]benzene
CID 173279363
1,3-bis(2-phenylbutan-2-yl)benzene;methane
CID 144908035
9,9-dimethyl-2-(4-methylphenyl)-7-(2-phenylbutan-2-yl)fluorene
CID 143306948
1-[3,4-dimethyl-4-(4-methylphenyl)hexan-3-yl]-4-methylbenzene
CID 22277896
N-phenyl-N-[2-[4-(2-phenylbutan-2-yl)phenyl]butan-2-yl]aniline
CID 166970912
1-methyl-4-[(4-methylphenyl)-diphenylmethyl]benzene
CID 22957062
(4,4-dimethyl-2-phenylhexan-2-yl)benzene
CID 59841354
1-[diethoxy(phenyl)methyl]-4-methylbenzene
CID 13274602
4-[1-(4-methylphenyl)-1-phenylpropyl]benzonitrile
CID 134172030
1-tert-butyl-4-[2-(4-tert-butylphenyl)propan-2-yl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;2-phenylpropan-2-ylbenzene
CID 159374079
1-methyl-4-(2-phenylpropan-2-yl)benzene;1-methyl-4-[2-[3-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene;1-methyl-4-[2-[4-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene
CID 159818582

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-phenylbutan-2-yl)benzene?
The IUPAC name of 1-methyl-4-(2-phenylbutan-2-yl)benzene (CID 173298051) is 1-methyl-4-(2-phenylbutan-2-yl)benzene.
What is the SMILES notation for 1-methyl-4-(2-phenylbutan-2-yl)benzene?
The canonical SMILES for 1-methyl-4-(2-phenylbutan-2-yl)benzene is CCC(C)(c1ccccc1)c1ccc(C)cc1.
What is the InChIKey of 1-methyl-4-(2-phenylbutan-2-yl)benzene?
The InChIKey is TUVODFXCXMUBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20/c1-4-17(3,15-8-6-5-7-9-15)16-12-10-14(2)11-13-16/h5-13H,4H2,1-3H3.
What are the key properties of 1-methyl-4-(2-phenylbutan-2-yl)benzene?
1-methyl-4-(2-phenylbutan-2-yl)benzene has a molecular weight of 224.35 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-phenylbutan-2-yl)benzene is sourced from PubChem (CID 173298051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).