1-methyl-2-(2-methyl-1-phenylbutyl)benzene;(2-methyl-4-phenylbutyl)benzene

C35H42 — CID 157066005

IUPAC1-methyl-2-(2-methyl-1-phenylbutyl)benzene;(2-methyl-4-phenylbutyl)benzene
SMILESCC(CCc1ccccc1)Cc1ccccc1.CCC(C)C(c1ccccc1)c1ccccc1C
InChIInChI=1S/C18H22.C17H20/c1-4-14(2)18(16-11-6-5-7-12-16)17-13-9-8-10-15(17)3;1-15(14-17-10-6-3-7-11-17)12-13-16-8-4-2-5-9-16/h5-14,18H,4H2,1-3H3;2-11,15H,12-14H2,1H3
InChIKeyABWOJDAEPQKNEN-UHFFFAOYSA-N
MW462.72 g/mol
LogP9.67
Rot. Bonds9

About 1-methyl-2-(2-methyl-1-phenylbutyl)benzene;(2-methyl-4-phenylbutyl)benzene

1-methyl-2-(2-methyl-1-phenylbutyl)benzene;(2-methyl-4-phenylbutyl)benzene (PubChem CID 157066005) has the molecular formula C35H42 and a molecular weight of 462.72 g/mol. Its IUPAC name is 1-methyl-2-(2-methyl-1-phenylbutyl)benzene;(2-methyl-4-phenylbutyl)benzene.

Molecular Properties

Compound Name1-methyl-2-(2-methyl-1-phenylbutyl)benzene;(2-methyl-4-phenylbutyl)benzene
PubChem CID157066005
Molecular FormulaC35H42
Molecular Weight462.72 g/mol
Exact Mass462.33
IUPAC Name1-methyl-2-(2-methyl-1-phenylbutyl)benzene;(2-methyl-4-phenylbutyl)benzene
SMILESCC(CCc1ccccc1)Cc1ccccc1.CCC(C)C(c1ccccc1)c1ccccc1C
InChIInChI=1S/C18H22.C17H20/c1-4-14(2)18(16-11-6-5-7-12-16)17-13-9-8-10-15(17)3;1-15(14-17-10-6-3-7-11-17)12-13-16-8-4-2-5-9-16/h5-14,18H,4H2,1-3H3;2-11,15H,12-14H2,1H3
InChIKeyABWOJDAEPQKNEN-UHFFFAOYSA-N
XLogP9.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.72
LogP ≤ 59.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

acetylene;hydrogen;(2-methyl-4-phenylbutyl)benzene
CID 143824373
3,4-dimethylhexylbenzene
CID 72602417
methane;[(2R)-2-methylbutyl]benzene;(1S,2R)-2-methyl-1-phenylbutan-1-ol
CID 167593098
1-methyl-2-(1-phenylpropan-2-yl)benzene
CID 22356709
1-(2-methylphenyl)-3-phenylpropan-1-amine
CID 54919026
1-methyl-2-propan-2-ylbenzene;propylbenzene
CID 177038252
1-methyl-2-(3-methylpentan-2-yl)benzene
CID 23555669
N-[(1S)-1-(2-methylphenyl)ethyl]-4-phenylbutan-2-amine
CID 81374312
N-[1-(2-methylphenyl)ethyl]-4-phenylbutan-2-amine
CID 43096454
N,N,4-trimethyl-1-phenylhexan-3-amine
CID 54141645
[(2S)-4-methoxy-2-methylbutyl]benzene
CID 70313401
1-(1-bromo-2-phenylethyl)-2-methylbenzene
CID 63529712

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2-methyl-1-phenylbutyl)benzene;(2-methyl-4-phenylbutyl)benzene?
The IUPAC name of 1-methyl-2-(2-methyl-1-phenylbutyl)benzene;(2-methyl-4-phenylbutyl)benzene (CID 157066005) is 1-methyl-2-(2-methyl-1-phenylbutyl)benzene;(2-methyl-4-phenylbutyl)benzene.
What is the SMILES notation for 1-methyl-2-(2-methyl-1-phenylbutyl)benzene;(2-methyl-4-phenylbutyl)benzene?
The canonical SMILES for 1-methyl-2-(2-methyl-1-phenylbutyl)benzene;(2-methyl-4-phenylbutyl)benzene is CC(CCc1ccccc1)Cc1ccccc1.CCC(C)C(c1ccccc1)c1ccccc1C.
What is the InChIKey of 1-methyl-2-(2-methyl-1-phenylbutyl)benzene;(2-methyl-4-phenylbutyl)benzene?
The InChIKey is ABWOJDAEPQKNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22.C17H20/c1-4-14(2)18(16-11-6-5-7-12-16)17-13-9-8-10-15(17)3;1-15(14-17-10-6-3-7-11-17)12-13-16-8-4-2-5-9-16/h5-14,18H,4H2,1-3H3;2-11,15H,12-14H2,1H3.
What are the key properties of 1-methyl-2-(2-methyl-1-phenylbutyl)benzene;(2-methyl-4-phenylbutyl)benzene?
1-methyl-2-(2-methyl-1-phenylbutyl)benzene;(2-methyl-4-phenylbutyl)benzene has a molecular weight of 462.72 g/mol, XLogP of 9.67, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(2-methyl-1-phenylbutyl)benzene;(2-methyl-4-phenylbutyl)benzene is sourced from PubChem (CID 157066005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).