1-methyl-4-[[3-(2-methylbutan-2-yl)phenyl]methyl]benzene

C19H24 — CID 20558537

IUPAC1-methyl-4-[[3-(2-methylbutan-2-yl)phenyl]methyl]benzene
SMILESCCC(C)(C)c1cccc(Cc2ccc(C)cc2)c1
InChIInChI=1S/C19H24/c1-5-19(3,4)18-8-6-7-17(14-18)13-16-11-9-15(2)10-12-16/h6-12,14H,5,13H2,1-4H3
InChIKeyYAICROGFWJWQII-UHFFFAOYSA-N
MW252.40 g/mol
LogP5.27
Rot. Bonds4

About 1-methyl-4-[[3-(2-methylbutan-2-yl)phenyl]methyl]benzene

1-methyl-4-[[3-(2-methylbutan-2-yl)phenyl]methyl]benzene (PubChem CID 20558537) has the molecular formula C19H24 and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-methyl-4-[[3-(2-methylbutan-2-yl)phenyl]methyl]benzene.

Molecular Properties

Compound Name1-methyl-4-[[3-(2-methylbutan-2-yl)phenyl]methyl]benzene
PubChem CID20558537
Molecular FormulaC19H24
Molecular Weight252.40 g/mol
Exact Mass252.19
IUPAC Name1-methyl-4-[[3-(2-methylbutan-2-yl)phenyl]methyl]benzene
SMILESCCC(C)(C)c1cccc(Cc2ccc(C)cc2)c1
InChIInChI=1S/C19H24/c1-5-19(3,4)18-8-6-7-17(14-18)13-16-11-9-15(2)10-12-16/h6-12,14H,5,13H2,1-4H3
InChIKeyYAICROGFWJWQII-UHFFFAOYSA-N
XLogP5.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.40
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]benzene
CID 122368794
1-benzyl-4-(2-methylbutan-2-yl)benzene
CID 54402390
1-methyl-4-[(4-methylphenyl)methyl]benzene;propane;1,4-xylene
CID 161043198
1-benzyl-4-methylbenzene;toluene
CID 144690555
1-methyl-4-[2-[3-[2-methyl-2-(4-methylphenyl)propyl]phenyl]propan-2-yl]benzene
CID 143650354
1-methyl-4-[2-(3-propylphenyl)propan-2-yl]benzene
CID 123328001
methane;1-methyl-4-[(4-methylphenyl)methyl]benzene;propane;1,4-xylene
CID 162237370
1,3-diethylbenzene;1,4-diethylbenzene;methane;1,4-xylene
CID 158740154
1-(2,3-dimethylpent-1-en-3-yl)-2-methyl-4-[(4-methylphenyl)methyl]benzene
CID 145399611
carbanide;2,2-dimethylbutane;3-(2-methylbutan-2-yl)pyridine;4-(2-methylbutan-2-yl)pyridine;1-methyl-3-(2-methylbutan-2-yl)benzene;1-methyl-4-(2-methylbutan-2-yl)benzene;tetrakis(yttrium)
CID 157209110
3-[[3-[(3-aminophenyl)methyl]phenyl]methyl]aniline;3-[[3-[(4-aminophenyl)methyl]phenyl]methyl]aniline;3-[[4-[(3-aminophenyl)methyl]phenyl]methyl]aniline;3-[[4-[(4-aminophenyl)methyl]phenyl]methyl]aniline;4-[[3-[(4-aminophenyl)methyl]phenyl]methyl]aniline;4-[[4-[(4-methylphenyl)methyl]phenyl]methyl]aniline
CID 159164219
1-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]benzene
CID 129029518

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[3-(2-methylbutan-2-yl)phenyl]methyl]benzene?
The IUPAC name of 1-methyl-4-[[3-(2-methylbutan-2-yl)phenyl]methyl]benzene (CID 20558537) is 1-methyl-4-[[3-(2-methylbutan-2-yl)phenyl]methyl]benzene.
What is the SMILES notation for 1-methyl-4-[[3-(2-methylbutan-2-yl)phenyl]methyl]benzene?
The canonical SMILES for 1-methyl-4-[[3-(2-methylbutan-2-yl)phenyl]methyl]benzene is CCC(C)(C)c1cccc(Cc2ccc(C)cc2)c1.
What is the InChIKey of 1-methyl-4-[[3-(2-methylbutan-2-yl)phenyl]methyl]benzene?
The InChIKey is YAICROGFWJWQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24/c1-5-19(3,4)18-8-6-7-17(14-18)13-16-11-9-15(2)10-12-16/h6-12,14H,5,13H2,1-4H3.
What are the key properties of 1-methyl-4-[[3-(2-methylbutan-2-yl)phenyl]methyl]benzene?
1-methyl-4-[[3-(2-methylbutan-2-yl)phenyl]methyl]benzene has a molecular weight of 252.40 g/mol, XLogP of 5.27, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[3-(2-methylbutan-2-yl)phenyl]methyl]benzene is sourced from PubChem (CID 20558537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).