2-benzyl-1-methyl-3-(2-phenylpropan-2-yl)benzene

C23H24 — CID 173430654

IUPAC2-benzyl-1-methyl-3-(2-phenylpropan-2-yl)benzene
SMILESCc1cccc(C(C)(C)c2ccccc2)c1Cc1ccccc1
InChIInChI=1S/C23H24/c1-18-11-10-16-22(21(18)17-19-12-6-4-7-13-19)23(2,3)20-14-8-5-9-15-20/h4-16H,17H2,1-3H3
InChIKeyLYSOAYKREXHBIT-UHFFFAOYSA-N
MW300.45 g/mol
LogP5.91
Rot. Bonds4

About 2-benzyl-1-methyl-3-(2-phenylpropan-2-yl)benzene

2-benzyl-1-methyl-3-(2-phenylpropan-2-yl)benzene (PubChem CID 173430654) has the molecular formula C23H24 and a molecular weight of 300.45 g/mol. Its IUPAC name is 2-benzyl-1-methyl-3-(2-phenylpropan-2-yl)benzene.

Molecular Properties

Compound Name2-benzyl-1-methyl-3-(2-phenylpropan-2-yl)benzene
PubChem CID173430654
Molecular FormulaC23H24
Molecular Weight300.45 g/mol
Exact Mass300.19
IUPAC Name2-benzyl-1-methyl-3-(2-phenylpropan-2-yl)benzene
SMILESCc1cccc(C(C)(C)c2ccccc2)c1Cc1ccccc1
InChIInChI=1S/C23H24/c1-18-11-10-16-22(21(18)17-19-12-6-4-7-13-19)23(2,3)20-14-8-5-9-15-20/h4-16H,17H2,1-3H3
InChIKeyLYSOAYKREXHBIT-UHFFFAOYSA-N
XLogP5.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.45
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-hexyl-1-methyl-3-(2-phenylpropan-2-yl)benzene
CID 141351785
(2-benzyl-3-methylphenyl)phosphane
CID 54016986
2-benzyl-1-iodo-3-methylbenzene
CID 91202861
2-methyl-3-(2-phenylpropan-2-yl)benzaldehyde
CID 141223238
1-(2-phenylpropan-2-yl)-2-[2-(2-phenylpropan-2-yl)phenyl]sulfanylbenzene
CID 156695476
2-phenylpropan-2-ylbenzene
CID 13065
1,2-dimethyl-3-[2-(4-phenoxyphenyl)propan-2-yl]benzene
CID 19885717
4-benzylacridine;1-(2-phenylpropan-2-yl)acridine
CID 175451536
benzene;2-(2-phenylpropan-2-yl)phenol;hydrate
CID 174709888
2-(2-phenylpropan-2-yl)phenol;hydrate
CID 174697950
(2S)-1-amino-2-(2-benzylphenyl)propan-2-ol
CID 129364050
(1R)-1-(2-bromo-3-methylphenyl)-1-phenylethanol
CID 164671387

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-methyl-3-(2-phenylpropan-2-yl)benzene?
The IUPAC name of 2-benzyl-1-methyl-3-(2-phenylpropan-2-yl)benzene (CID 173430654) is 2-benzyl-1-methyl-3-(2-phenylpropan-2-yl)benzene.
What is the SMILES notation for 2-benzyl-1-methyl-3-(2-phenylpropan-2-yl)benzene?
The canonical SMILES for 2-benzyl-1-methyl-3-(2-phenylpropan-2-yl)benzene is Cc1cccc(C(C)(C)c2ccccc2)c1Cc1ccccc1.
What is the InChIKey of 2-benzyl-1-methyl-3-(2-phenylpropan-2-yl)benzene?
The InChIKey is LYSOAYKREXHBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24/c1-18-11-10-16-22(21(18)17-19-12-6-4-7-13-19)23(2,3)20-14-8-5-9-15-20/h4-16H,17H2,1-3H3.
What are the key properties of 2-benzyl-1-methyl-3-(2-phenylpropan-2-yl)benzene?
2-benzyl-1-methyl-3-(2-phenylpropan-2-yl)benzene has a molecular weight of 300.45 g/mol, XLogP of 5.91, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-methyl-3-(2-phenylpropan-2-yl)benzene is sourced from PubChem (CID 173430654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).