1,2-ditert-butyl-4-(1-phenylpropan-2-yl)benzene

C23H32 — CID 101326632

IUPAC1,2-ditert-butyl-4-(1-phenylpropan-2-yl)benzene
SMILESCC(Cc1ccccc1)c1ccc(C(C)(C)C)c(C(C)(C)C)c1
InChIInChI=1S/C23H32/c1-17(15-18-11-9-8-10-12-18)19-13-14-20(22(2,3)4)21(16-19)23(5,6)7/h8-14,16-17H,15H2,1-7H3
InChIKeyFAXFPABARBCWFZ-UHFFFAOYSA-N
MW308.51 g/mol
LogP6.63
Rot. Bonds3

About 1,2-ditert-butyl-4-(1-phenylpropan-2-yl)benzene

1,2-ditert-butyl-4-(1-phenylpropan-2-yl)benzene (PubChem CID 101326632) has the molecular formula C23H32 and a molecular weight of 308.51 g/mol. Its IUPAC name is 1,2-ditert-butyl-4-(1-phenylpropan-2-yl)benzene.

Molecular Properties

Compound Name1,2-ditert-butyl-4-(1-phenylpropan-2-yl)benzene
PubChem CID101326632
Molecular FormulaC23H32
Molecular Weight308.51 g/mol
Exact Mass308.25
IUPAC Name1,2-ditert-butyl-4-(1-phenylpropan-2-yl)benzene
SMILESCC(Cc1ccccc1)c1ccc(C(C)(C)C)c(C(C)(C)C)c1
InChIInChI=1S/C23H32/c1-17(15-18-11-9-8-10-12-18)19-13-14-20(22(2,3)4)21(16-19)23(5,6)7/h8-14,16-17H,15H2,1-7H3
InChIKeyFAXFPABARBCWFZ-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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Frequently Asked Questions

What is the IUPAC name of 1,2-ditert-butyl-4-(1-phenylpropan-2-yl)benzene?
The IUPAC name of 1,2-ditert-butyl-4-(1-phenylpropan-2-yl)benzene (CID 101326632) is 1,2-ditert-butyl-4-(1-phenylpropan-2-yl)benzene.
What is the SMILES notation for 1,2-ditert-butyl-4-(1-phenylpropan-2-yl)benzene?
The canonical SMILES for 1,2-ditert-butyl-4-(1-phenylpropan-2-yl)benzene is CC(Cc1ccccc1)c1ccc(C(C)(C)C)c(C(C)(C)C)c1.
What is the InChIKey of 1,2-ditert-butyl-4-(1-phenylpropan-2-yl)benzene?
The InChIKey is FAXFPABARBCWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32/c1-17(15-18-11-9-8-10-12-18)19-13-14-20(22(2,3)4)21(16-19)23(5,6)7/h8-14,16-17H,15H2,1-7H3.
What are the key properties of 1,2-ditert-butyl-4-(1-phenylpropan-2-yl)benzene?
1,2-ditert-butyl-4-(1-phenylpropan-2-yl)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-(1-phenylpropan-2-yl)benzene is sourced from PubChem (CID 101326632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).