1-benzyl-2-tert-butyl-3-(3-methyl-1-phenylpentan-2-yl)benzene

C29H36 — CID 173254027

IUPAC1-benzyl-2-tert-butyl-3-(3-methyl-1-phenylpentan-2-yl)benzene
SMILESCCC(C)C(Cc1ccccc1)c1cccc(Cc2ccccc2)c1C(C)(C)C
InChIInChI=1S/C29H36/c1-6-22(2)27(21-24-16-11-8-12-17-24)26-19-13-18-25(28(26)29(3,4)5)20-23-14-9-7-10-15-23/h7-19,22,27H,6,20-21H2,1-5H3
InChIKeyJPLAUASZRGGDQW-UHFFFAOYSA-N
MW384.61 g/mol
LogP7.95
Rot. Bonds7

About 1-benzyl-2-tert-butyl-3-(3-methyl-1-phenylpentan-2-yl)benzene

1-benzyl-2-tert-butyl-3-(3-methyl-1-phenylpentan-2-yl)benzene (PubChem CID 173254027) has the molecular formula C29H36 and a molecular weight of 384.61 g/mol. Its IUPAC name is 1-benzyl-2-tert-butyl-3-(3-methyl-1-phenylpentan-2-yl)benzene.

Molecular Properties

Compound Name1-benzyl-2-tert-butyl-3-(3-methyl-1-phenylpentan-2-yl)benzene
PubChem CID173254027
Molecular FormulaC29H36
Molecular Weight384.61 g/mol
Exact Mass384.28
IUPAC Name1-benzyl-2-tert-butyl-3-(3-methyl-1-phenylpentan-2-yl)benzene
SMILESCCC(C)C(Cc1ccccc1)c1cccc(Cc2ccccc2)c1C(C)(C)C
InChIInChI=1S/C29H36/c1-6-22(2)27(21-24-16-11-8-12-17-24)26-19-13-18-25(28(26)29(3,4)5)20-23-14-9-7-10-15-23/h7-19,22,27H,6,20-21H2,1-5H3
InChIKeyJPLAUASZRGGDQW-UHFFFAOYSA-N
XLogP7.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.61
LogP ≤ 57.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(3-methyl-1-phenylpentan-2-yl)-2-(2,2,2-trifluoroethyl)benzene
CID 173340690
1-benzyl-2-(1-phenylbutan-2-yl)benzene
CID 173399108
1-[1-(3-benzyl-2-tert-butylphenyl)ethyl]cyclopentan-1-ol
CID 173253910
3-benzyl-2-tert-butylphenol
CID 154096643
1-benzyl-2-propan-2-ylbenzene
CID 13215617
1-N-(2-benzylphenyl)-3-methylpentane-1,2-diamine
CID 62254062
1-(2-benzylphenyl)butan-1-ol
CID 101274232
1-(3-methyl-1-phenylbutan-2-yl)-2-(2,2,2-trichloroethyl)benzene
CID 173340644
(2-bromo-3,3-dimethylpentyl)benzene
CID 63529714
[(2S)-2-(2-methoxypropan-2-yloxymethyl)-3-methylpentyl]benzene
CID 100977400
3-(2-benzylphenyl)-2-oxobutanoic acid
CID 70588375
(2-benzylphenyl)-triethylphosphanium
CID 69344190

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-tert-butyl-3-(3-methyl-1-phenylpentan-2-yl)benzene?
The IUPAC name of 1-benzyl-2-tert-butyl-3-(3-methyl-1-phenylpentan-2-yl)benzene (CID 173254027) is 1-benzyl-2-tert-butyl-3-(3-methyl-1-phenylpentan-2-yl)benzene.
What is the SMILES notation for 1-benzyl-2-tert-butyl-3-(3-methyl-1-phenylpentan-2-yl)benzene?
The canonical SMILES for 1-benzyl-2-tert-butyl-3-(3-methyl-1-phenylpentan-2-yl)benzene is CCC(C)C(Cc1ccccc1)c1cccc(Cc2ccccc2)c1C(C)(C)C.
What is the InChIKey of 1-benzyl-2-tert-butyl-3-(3-methyl-1-phenylpentan-2-yl)benzene?
The InChIKey is JPLAUASZRGGDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36/c1-6-22(2)27(21-24-16-11-8-12-17-24)26-19-13-18-25(28(26)29(3,4)5)20-23-14-9-7-10-15-23/h7-19,22,27H,6,20-21H2,1-5H3.
What are the key properties of 1-benzyl-2-tert-butyl-3-(3-methyl-1-phenylpentan-2-yl)benzene?
1-benzyl-2-tert-butyl-3-(3-methyl-1-phenylpentan-2-yl)benzene has a molecular weight of 384.61 g/mol, XLogP of 7.95, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-tert-butyl-3-(3-methyl-1-phenylpentan-2-yl)benzene is sourced from PubChem (CID 173254027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).