1,3-dibromo-5-[2,6-di(propan-2-yl)phenyl]benzene

C18H20Br2 — CID 126608080

IUPAC1,3-dibromo-5-[2,6-di(propan-2-yl)phenyl]benzene
SMILESCC(C)c1cccc(C(C)C)c1-c1cc(Br)cc(Br)c1
InChIInChI=1S/C18H20Br2/c1-11(2)16-6-5-7-17(12(3)4)18(16)13-8-14(19)10-15(20)9-13/h5-12H,1-4H3
InChIKeyFWOQFFZKXGCCJU-UHFFFAOYSA-N
MW396.17 g/mol
LogP7.13
Rot. Bonds3

About 1,3-dibromo-5-[2,6-di(propan-2-yl)phenyl]benzene

1,3-dibromo-5-[2,6-di(propan-2-yl)phenyl]benzene (PubChem CID 126608080) has the molecular formula C18H20Br2 and a molecular weight of 396.17 g/mol. Its IUPAC name is 1,3-dibromo-5-[2,6-di(propan-2-yl)phenyl]benzene.

Molecular Properties

Compound Name1,3-dibromo-5-[2,6-di(propan-2-yl)phenyl]benzene
PubChem CID126608080
Molecular FormulaC18H20Br2
Molecular Weight396.17 g/mol
Exact Mass393.99
IUPAC Name1,3-dibromo-5-[2,6-di(propan-2-yl)phenyl]benzene
SMILESCC(C)c1cccc(C(C)C)c1-c1cc(Br)cc(Br)c1
InChIInChI=1S/C18H20Br2/c1-11(2)16-6-5-7-17(12(3)4)18(16)13-8-14(19)10-15(20)9-13/h5-12H,1-4H3
InChIKeyFWOQFFZKXGCCJU-UHFFFAOYSA-N
XLogP7.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.17
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3-dibromo-5-[2,6-di(propan-2-yl)phenyl]benzene?
The IUPAC name of 1,3-dibromo-5-[2,6-di(propan-2-yl)phenyl]benzene (CID 126608080) is 1,3-dibromo-5-[2,6-di(propan-2-yl)phenyl]benzene.
What is the SMILES notation for 1,3-dibromo-5-[2,6-di(propan-2-yl)phenyl]benzene?
The canonical SMILES for 1,3-dibromo-5-[2,6-di(propan-2-yl)phenyl]benzene is CC(C)c1cccc(C(C)C)c1-c1cc(Br)cc(Br)c1.
What is the InChIKey of 1,3-dibromo-5-[2,6-di(propan-2-yl)phenyl]benzene?
The InChIKey is FWOQFFZKXGCCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Br2/c1-11(2)16-6-5-7-17(12(3)4)18(16)13-8-14(19)10-15(20)9-13/h5-12H,1-4H3.
What are the key properties of 1,3-dibromo-5-[2,6-di(propan-2-yl)phenyl]benzene?
1,3-dibromo-5-[2,6-di(propan-2-yl)phenyl]benzene has a molecular weight of 396.17 g/mol, XLogP of 7.13, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibromo-5-[2,6-di(propan-2-yl)phenyl]benzene is sourced from PubChem (CID 126608080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).