2-tert-butyl-5-methyl-1-[(1R)-1-(3-methylphenyl)ethyl]-3-[(3-methylphenyl)methyl]benzene

C28H34 — CID 155642957

IUPAC2-tert-butyl-5-methyl-1-[(1R)-1-(3-methylphenyl)ethyl]-3-[(3-methylphenyl)methyl]benzene
SMILESCc1cccc(Cc2cc(C)cc([C@H](C)c3cccc(C)c3)c2C(C)(C)C)c1
InChIInChI=1S/C28H34/c1-19-10-8-12-23(14-19)18-25-16-21(3)17-26(27(25)28(5,6)7)22(4)24-13-9-11-20(2)15-24/h8-17,22H,18H2,1-7H3/t22-/m1/s1
InChIKeyNBFSJJIYZQOPFF-JOCHJYFZSA-N
MW370.58 g/mol
LogP7.65
Rot. Bonds4

About 2-tert-butyl-5-methyl-1-[(1R)-1-(3-methylphenyl)ethyl]-3-[(3-methylphenyl)methyl]benzene

2-tert-butyl-5-methyl-1-[(1R)-1-(3-methylphenyl)ethyl]-3-[(3-methylphenyl)methyl]benzene (PubChem CID 155642957) has the molecular formula C28H34 and a molecular weight of 370.58 g/mol. Its IUPAC name is 2-tert-butyl-5-methyl-1-[(1R)-1-(3-methylphenyl)ethyl]-3-[(3-methylphenyl)methyl]benzene.

Molecular Properties

Compound Name2-tert-butyl-5-methyl-1-[(1R)-1-(3-methylphenyl)ethyl]-3-[(3-methylphenyl)methyl]benzene
PubChem CID155642957
Molecular FormulaC28H34
Molecular Weight370.58 g/mol
Exact Mass370.27
IUPAC Name2-tert-butyl-5-methyl-1-[(1R)-1-(3-methylphenyl)ethyl]-3-[(3-methylphenyl)methyl]benzene
SMILESCc1cccc(Cc2cc(C)cc([C@H](C)c3cccc(C)c3)c2C(C)(C)C)c1
InChIInChI=1S/C28H34/c1-19-10-8-12-23(14-19)18-25-16-21(3)17-26(27(25)28(5,6)7)22(4)24-13-9-11-20(2)15-24/h8-17,22H,18H2,1-7H3/t22-/m1/s1
InChIKeyNBFSJJIYZQOPFF-JOCHJYFZSA-N
XLogP7.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.58
LogP ≤ 57.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-dimethyl-3-[1-(3-methylphenyl)ethyl]benzene
CID 134995374
2-tert-butyl-1,3-bis[(1R)-1-(3,5-ditert-butylphenyl)ethyl]-5-methylbenzene
CID 155642965
1-methyl-3-[1-[4-(2-phenylethyl)phenyl]ethyl]benzene
CID 173470355
1,2,4-trifluoro-5-[(3-methylphenyl)methyl]benzene
CID 91017435
2,2-dimethyl-N-[(3-methylphenyl)methyl]-1-phenylpropan-1-amine
CID 43433325
1-(4-bromo-2,2-dimethylpentyl)-3-methylbenzene
CID 64715591
N-[2-(3-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-2-amine
CID 55036222
2,3-dimethyl-1-(3-methylphenyl)butan-2-ol
CID 60798225
1-benzyl-4-methyl-2-propan-2-ylbenzene
CID 59400391
1-[[3-(3,3-dimethylbutyl)phenyl]methyl]-3-[(3-methylphenyl)methyl]benzene
CID 140940309
ethane;bis(1-ethyl-3-methylbenzene)
CID 142878274
ethane;1-methyl-3-propan-2-ylbenzene
CID 142020139

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-methyl-1-[(1R)-1-(3-methylphenyl)ethyl]-3-[(3-methylphenyl)methyl]benzene?
The IUPAC name of 2-tert-butyl-5-methyl-1-[(1R)-1-(3-methylphenyl)ethyl]-3-[(3-methylphenyl)methyl]benzene (CID 155642957) is 2-tert-butyl-5-methyl-1-[(1R)-1-(3-methylphenyl)ethyl]-3-[(3-methylphenyl)methyl]benzene.
What is the SMILES notation for 2-tert-butyl-5-methyl-1-[(1R)-1-(3-methylphenyl)ethyl]-3-[(3-methylphenyl)methyl]benzene?
The canonical SMILES for 2-tert-butyl-5-methyl-1-[(1R)-1-(3-methylphenyl)ethyl]-3-[(3-methylphenyl)methyl]benzene is Cc1cccc(Cc2cc(C)cc([C@H](C)c3cccc(C)c3)c2C(C)(C)C)c1.
What is the InChIKey of 2-tert-butyl-5-methyl-1-[(1R)-1-(3-methylphenyl)ethyl]-3-[(3-methylphenyl)methyl]benzene?
The InChIKey is NBFSJJIYZQOPFF-JOCHJYFZSA-N. The full InChI is InChI=1S/C28H34/c1-19-10-8-12-23(14-19)18-25-16-21(3)17-26(27(25)28(5,6)7)22(4)24-13-9-11-20(2)15-24/h8-17,22H,18H2,1-7H3/t22-/m1/s1.
What are the key properties of 2-tert-butyl-5-methyl-1-[(1R)-1-(3-methylphenyl)ethyl]-3-[(3-methylphenyl)methyl]benzene?
2-tert-butyl-5-methyl-1-[(1R)-1-(3-methylphenyl)ethyl]-3-[(3-methylphenyl)methyl]benzene has a molecular weight of 370.58 g/mol, XLogP of 7.65, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-methyl-1-[(1R)-1-(3-methylphenyl)ethyl]-3-[(3-methylphenyl)methyl]benzene is sourced from PubChem (CID 155642957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).