1-butan-2-yl-2-(2-phenylethyl)benzene

C18H22 — CID 22235126

IUPAC1-butan-2-yl-2-(2-phenylethyl)benzene
SMILESCCC(C)c1ccccc1CCc1ccccc1
InChIInChI=1S/C18H22/c1-3-15(2)18-12-8-7-11-17(18)14-13-16-9-5-4-6-10-16/h4-12,15H,3,13-14H2,1-2H3
InChIKeyXNYQPPFBFHFAAG-UHFFFAOYSA-N
MW238.37 g/mol
LogP4.99
Rot. Bonds5

About 1-butan-2-yl-2-(2-phenylethyl)benzene

1-butan-2-yl-2-(2-phenylethyl)benzene (PubChem CID 22235126) has the molecular formula C18H22 and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-butan-2-yl-2-(2-phenylethyl)benzene.

Molecular Properties

Compound Name1-butan-2-yl-2-(2-phenylethyl)benzene
PubChem CID22235126
Molecular FormulaC18H22
Molecular Weight238.37 g/mol
Exact Mass238.17
IUPAC Name1-butan-2-yl-2-(2-phenylethyl)benzene
SMILESCCC(C)c1ccccc1CCc1ccccc1
InChIInChI=1S/C18H22/c1-3-15(2)18-12-8-7-11-17(18)14-13-16-9-5-4-6-10-16/h4-12,15H,3,13-14H2,1-2H3
InChIKeyXNYQPPFBFHFAAG-UHFFFAOYSA-N
XLogP4.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-butan-2-yl-2-butylbenzene;ethane;propane
CID 144927563
1-(1-phenylpropan-2-yl)-2-propylbenzene
CID 18968363
ethane;methane;2-methylbutane;tris(2-phenylethylbenzene)
CID 159124725
N,N-dimethyl-1-phenyl-1-[2-(2-phenylethyl)phenyl]methanamine
CID 90903572
3,4-dimethylhexylbenzene
CID 72602417
1-butan-2-yl-2-propan-2-ylbenzene;ethane
CID 143715642
benzene;2-phenylethylbenzene
CID 18982764
1-butan-2-yl-2-[(2-butan-2-ylphenyl)disulfanyl]benzene
CID 87179249
4-[2-(3-aminopropyl)phenyl]pentan-1-amine
CID 54448117
N-methyl-2-(2-propylphenyl)propan-1-amine
CID 105425339
2-[(2-benzyl-3-butan-2-ylphenyl)methyl]furan
CID 173340637
ethane;methane;2-phenylethylbenzene
CID 158652330

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-2-(2-phenylethyl)benzene?
The IUPAC name of 1-butan-2-yl-2-(2-phenylethyl)benzene (CID 22235126) is 1-butan-2-yl-2-(2-phenylethyl)benzene.
What is the SMILES notation for 1-butan-2-yl-2-(2-phenylethyl)benzene?
The canonical SMILES for 1-butan-2-yl-2-(2-phenylethyl)benzene is CCC(C)c1ccccc1CCc1ccccc1.
What is the InChIKey of 1-butan-2-yl-2-(2-phenylethyl)benzene?
The InChIKey is XNYQPPFBFHFAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22/c1-3-15(2)18-12-8-7-11-17(18)14-13-16-9-5-4-6-10-16/h4-12,15H,3,13-14H2,1-2H3.
What are the key properties of 1-butan-2-yl-2-(2-phenylethyl)benzene?
1-butan-2-yl-2-(2-phenylethyl)benzene has a molecular weight of 238.37 g/mol, XLogP of 4.99, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-2-(2-phenylethyl)benzene is sourced from PubChem (CID 22235126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).