1-benzyl-2-(1-phenylbutan-2-yl)benzene

C23H24 — CID 173399108

IUPAC1-benzyl-2-(1-phenylbutan-2-yl)benzene
SMILESCCC(Cc1ccccc1)c1ccccc1Cc1ccccc1
InChIInChI=1S/C23H24/c1-2-21(17-19-11-5-3-6-12-19)23-16-10-9-15-22(23)18-20-13-7-4-8-14-20/h3-16,21H,2,17-18H2,1H3
InChIKeyLSFHYXISPXADHQ-UHFFFAOYSA-N
MW300.45 g/mol
LogP6.01
Rot. Bonds6

About 1-benzyl-2-(1-phenylbutan-2-yl)benzene

1-benzyl-2-(1-phenylbutan-2-yl)benzene (PubChem CID 173399108) has the molecular formula C23H24 and a molecular weight of 300.45 g/mol. Its IUPAC name is 1-benzyl-2-(1-phenylbutan-2-yl)benzene.

Molecular Properties

Compound Name1-benzyl-2-(1-phenylbutan-2-yl)benzene
PubChem CID173399108
Molecular FormulaC23H24
Molecular Weight300.45 g/mol
Exact Mass300.19
IUPAC Name1-benzyl-2-(1-phenylbutan-2-yl)benzene
SMILESCCC(Cc1ccccc1)c1ccccc1Cc1ccccc1
InChIInChI=1S/C23H24/c1-2-21(17-19-11-5-3-6-12-19)23-16-10-9-15-22(23)18-20-13-7-4-8-14-20/h3-16,21H,2,17-18H2,1H3
InChIKeyLSFHYXISPXADHQ-UHFFFAOYSA-N
XLogP6.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.45
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-benzyl-2-propan-2-ylbenzene
CID 13215617
hydrogen peroxide;1-phenylbutan-2-ylbenzene
CID 19777291
1-benzyl-2-tert-butyl-3-(3-methyl-1-phenylpentan-2-yl)benzene
CID 173254027
1-(2-benzylphenyl)butan-1-ol
CID 101274232
(2-benzylphenyl)-triethylphosphanium
CID 69344190
1,2,3,4-tetrabenzyl-5-(1,3-diphenylpropan-2-yl)benzene
CID 173361594
benzylbenzene;methoxymethane
CID 161110966
tert-butyl N-[2-[(2S)-1-phenylbutan-2-yl]phenyl]carbamate
CID 134997675
3-(2-benzylphenyl)-2-oxobutanoic acid
CID 70588375
2-methyl-3-(2-pentan-3-ylphenyl)propanoic acid
CID 115006023
1-(1-bromo-3-phenylpropan-2-yl)-2-methylbenzene
CID 79418449
N-methyl-1-(2-methylphenyl)-2-phenylethanamine
CID 60819180

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-(1-phenylbutan-2-yl)benzene?
The IUPAC name of 1-benzyl-2-(1-phenylbutan-2-yl)benzene (CID 173399108) is 1-benzyl-2-(1-phenylbutan-2-yl)benzene.
What is the SMILES notation for 1-benzyl-2-(1-phenylbutan-2-yl)benzene?
The canonical SMILES for 1-benzyl-2-(1-phenylbutan-2-yl)benzene is CCC(Cc1ccccc1)c1ccccc1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-(1-phenylbutan-2-yl)benzene?
The InChIKey is LSFHYXISPXADHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24/c1-2-21(17-19-11-5-3-6-12-19)23-16-10-9-15-22(23)18-20-13-7-4-8-14-20/h3-16,21H,2,17-18H2,1H3.
What are the key properties of 1-benzyl-2-(1-phenylbutan-2-yl)benzene?
1-benzyl-2-(1-phenylbutan-2-yl)benzene has a molecular weight of 300.45 g/mol, XLogP of 6.01, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-(1-phenylbutan-2-yl)benzene is sourced from PubChem (CID 173399108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).