1-benzyl-3-butan-2-ylbenzene

C17H20 — CID 15748559

IUPAC1-benzyl-3-butan-2-ylbenzene
SMILESCCC(C)c1cccc(Cc2ccccc2)c1
InChIInChI=1S/C17H20/c1-3-14(2)17-11-7-10-16(13-17)12-15-8-5-4-6-9-15/h4-11,13-14H,3,12H2,1-2H3
InChIKeyZXSOHVNHDOSVGC-UHFFFAOYSA-N
MW224.35 g/mol
LogP4.79
Rot. Bonds4

About 1-benzyl-3-butan-2-ylbenzene

1-benzyl-3-butan-2-ylbenzene (PubChem CID 15748559) has the molecular formula C17H20 and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-benzyl-3-butan-2-ylbenzene.

Molecular Properties

Compound Name1-benzyl-3-butan-2-ylbenzene
PubChem CID15748559
Molecular FormulaC17H20
Molecular Weight224.35 g/mol
Exact Mass224.16
IUPAC Name1-benzyl-3-butan-2-ylbenzene
SMILESCCC(C)c1cccc(Cc2ccccc2)c1
InChIInChI=1S/C17H20/c1-3-14(2)17-11-7-10-16(13-17)12-15-8-5-4-6-9-15/h4-11,13-14H,3,12H2,1-2H3
InChIKeyZXSOHVNHDOSVGC-UHFFFAOYSA-N
XLogP4.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-butan-2-yl-3-ethylbenzene
CID 528681
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CID 69109207
2-(3-benzylphenyl)propanal
CID 14882415
1-ethyl-3-(1-phenylpropan-2-yl)benzene
CID 91139007
1-butan-2-yl-3-[3-(4-butan-2-ylphenyl)propyl]benzene
CID 123964762
2-benzyl-4-(3-butan-2-ylphenyl)-1-(3-methylphenyl)benzene
CID 102199994
4-[(3-propan-2-ylphenyl)methyl]aniline
CID 123873947
1,3,5-tris[[3-[(3-benzylphenyl)methyl]phenyl]methyl]benzene
CID 100946405
5-[5-(3-benzylphenyl)hexan-2-yl]-1-methylindole
CID 155480882
3-(3-butan-2-ylphenyl)-2-(methylamino)propanamide
CID 142817154
1-[(2R)-butan-2-yl]-3-[2-(4-methoxyphenyl)propyl]benzene
CID 155096208
CID 177025702
CID 177025702

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-butan-2-ylbenzene?
The IUPAC name of 1-benzyl-3-butan-2-ylbenzene (CID 15748559) is 1-benzyl-3-butan-2-ylbenzene.
What is the SMILES notation for 1-benzyl-3-butan-2-ylbenzene?
The canonical SMILES for 1-benzyl-3-butan-2-ylbenzene is CCC(C)c1cccc(Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-3-butan-2-ylbenzene?
The InChIKey is ZXSOHVNHDOSVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20/c1-3-14(2)17-11-7-10-16(13-17)12-15-8-5-4-6-9-15/h4-11,13-14H,3,12H2,1-2H3.
What are the key properties of 1-benzyl-3-butan-2-ylbenzene?
1-benzyl-3-butan-2-ylbenzene has a molecular weight of 224.35 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-butan-2-ylbenzene is sourced from PubChem (CID 15748559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).