1,2-ditert-butyl-4-(2-phenylpropyl)benzene

C23H32 — CID 101326630

IUPAC1,2-ditert-butyl-4-(2-phenylpropyl)benzene
SMILESCC(Cc1ccc(C(C)(C)C)c(C(C)(C)C)c1)c1ccccc1
InChIInChI=1S/C23H32/c1-17(19-11-9-8-10-12-19)15-18-13-14-20(22(2,3)4)21(16-18)23(5,6)7/h8-14,16-17H,15H2,1-7H3
InChIKeyDOBCAKCPVCTUBR-UHFFFAOYSA-N
MW308.51 g/mol
LogP6.63
Rot. Bonds3

About 1,2-ditert-butyl-4-(2-phenylpropyl)benzene

1,2-ditert-butyl-4-(2-phenylpropyl)benzene (PubChem CID 101326630) has the molecular formula C23H32 and a molecular weight of 308.51 g/mol. Its IUPAC name is 1,2-ditert-butyl-4-(2-phenylpropyl)benzene.

Molecular Properties

Compound Name1,2-ditert-butyl-4-(2-phenylpropyl)benzene
PubChem CID101326630
Molecular FormulaC23H32
Molecular Weight308.51 g/mol
Exact Mass308.25
IUPAC Name1,2-ditert-butyl-4-(2-phenylpropyl)benzene
SMILESCC(Cc1ccc(C(C)(C)C)c(C(C)(C)C)c1)c1ccccc1
InChIInChI=1S/C23H32/c1-17(19-11-9-8-10-12-19)15-18-13-14-20(22(2,3)4)21(16-18)23(5,6)7/h8-14,16-17H,15H2,1-7H3
InChIKeyDOBCAKCPVCTUBR-UHFFFAOYSA-N
XLogP6.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.51
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-ditert-butyl-4-(1-phenylpropan-2-yl)benzene
CID 101326632
1,4-bis(2-phenylpropyl)benzene
CID 19376086
1,2-ditert-butyl-4-[1-(3-tert-butylphenyl)propan-2-yl]benzene
CID 101326761
[(2R)-1-phenylpropan-2-yl]benzene
CID 11138041
1-tert-butyl-4-[2-(4-chlorophenyl)propyl]-2-fluorobenzene
CID 155445804
ethane;1-phenylpropan-2-ylbenzene
CID 142097323
2-tert-butyl-5-(2-phenylpropyl)pyridine
CID 170131220
2,4-bis(2-phenylpropyl)phenol
CID 118278794
1-tert-butyl-3-[1-(3-tert-butylphenyl)propan-2-yl]benzene
CID 101326643
azane;1-chloro-4-(2-phenylpropyl)benzene
CID 67712446
1-ethyl-2-fluoro-4-[(2R)-2-phenylpropyl]benzene
CID 71103129
1-phenyl-4-[1-(4-phenylphenyl)propan-2-yl]benzene
CID 142290495

Frequently Asked Questions

What is the IUPAC name of 1,2-ditert-butyl-4-(2-phenylpropyl)benzene?
The IUPAC name of 1,2-ditert-butyl-4-(2-phenylpropyl)benzene (CID 101326630) is 1,2-ditert-butyl-4-(2-phenylpropyl)benzene.
What is the SMILES notation for 1,2-ditert-butyl-4-(2-phenylpropyl)benzene?
The canonical SMILES for 1,2-ditert-butyl-4-(2-phenylpropyl)benzene is CC(Cc1ccc(C(C)(C)C)c(C(C)(C)C)c1)c1ccccc1.
What is the InChIKey of 1,2-ditert-butyl-4-(2-phenylpropyl)benzene?
The InChIKey is DOBCAKCPVCTUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32/c1-17(19-11-9-8-10-12-19)15-18-13-14-20(22(2,3)4)21(16-18)23(5,6)7/h8-14,16-17H,15H2,1-7H3.
What are the key properties of 1,2-ditert-butyl-4-(2-phenylpropyl)benzene?
1,2-ditert-butyl-4-(2-phenylpropyl)benzene has a molecular weight of 308.51 g/mol, XLogP of 6.63, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-ditert-butyl-4-(2-phenylpropyl)benzene is sourced from PubChem (CID 101326630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).