1-bromo-2-[1-bromo-3-(4-propan-2-ylphenyl)propan-2-yl]benzene

C18H20Br2 — CID 79454413

IUPAC1-bromo-2-[1-bromo-3-(4-propan-2-ylphenyl)propan-2-yl]benzene
SMILESCC(C)c1ccc(CC(CBr)c2ccccc2Br)cc1
InChIInChI=1S/C18H20Br2/c1-13(2)15-9-7-14(8-10-15)11-16(12-19)17-5-3-4-6-18(17)20/h3-10,13,16H,11-12H2,1-2H3
InChIKeyHWWBGPCARFWGTE-UHFFFAOYSA-N
MW396.17 g/mol
LogP6.29
Rot. Bonds5

About 1-bromo-2-[1-bromo-3-(4-propan-2-ylphenyl)propan-2-yl]benzene

1-bromo-2-[1-bromo-3-(4-propan-2-ylphenyl)propan-2-yl]benzene (PubChem CID 79454413) has the molecular formula C18H20Br2 and a molecular weight of 396.17 g/mol. Its IUPAC name is 1-bromo-2-[1-bromo-3-(4-propan-2-ylphenyl)propan-2-yl]benzene.

Molecular Properties

Compound Name1-bromo-2-[1-bromo-3-(4-propan-2-ylphenyl)propan-2-yl]benzene
PubChem CID79454413
Molecular FormulaC18H20Br2
Molecular Weight396.17 g/mol
Exact Mass393.99
IUPAC Name1-bromo-2-[1-bromo-3-(4-propan-2-ylphenyl)propan-2-yl]benzene
SMILESCC(C)c1ccc(CC(CBr)c2ccccc2Br)cc1
InChIInChI=1S/C18H20Br2/c1-13(2)15-9-7-14(8-10-15)11-16(12-19)17-5-3-4-6-18(17)20/h3-10,13,16H,11-12H2,1-2H3
InChIKeyHWWBGPCARFWGTE-UHFFFAOYSA-N
XLogP6.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.17
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-bromo-2-[1-bromo-3-(4-chlorophenyl)propan-2-yl]benzene
CID 79454411
1-bromo-2-[1-bromo-3-(2-chlorophenyl)propan-2-yl]benzene
CID 79454570
1-bromo-4-[3-bromo-2-(2-chlorophenyl)propyl]benzene
CID 79454557
1-[3-bromo-2-(3-methylphenyl)propyl]-4-propan-2-ylbenzene
CID 79423568
1-[3-bromo-2-(3-chlorophenyl)propyl]-4-propan-2-ylbenzene
CID 79432003
4-[3-bromo-2-(2-bromophenyl)propyl]-1-methylpyrazole
CID 79454417
1-(3-bromo-2-methylpropyl)-4-propan-2-ylbenzene
CID 64670401
1-bromo-2-[chloro-[4-(2-methylpropyl)phenyl]methyl]benzene
CID 63430575
(2-bromophenyl)-(4-propan-2-ylphenyl)methanol
CID 61083322
(2S)-2-(2-bromophenyl)-3-phenylpropan-1-ol
CID 86333738
1-(1-bromo-3-phenylpropan-2-yl)-2-methylbenzene
CID 79418449
1-bromo-2-[1-(4-tert-butylphenyl)-3-chloropropan-2-yl]benzene
CID 79438087

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[1-bromo-3-(4-propan-2-ylphenyl)propan-2-yl]benzene?
The IUPAC name of 1-bromo-2-[1-bromo-3-(4-propan-2-ylphenyl)propan-2-yl]benzene (CID 79454413) is 1-bromo-2-[1-bromo-3-(4-propan-2-ylphenyl)propan-2-yl]benzene.
What is the SMILES notation for 1-bromo-2-[1-bromo-3-(4-propan-2-ylphenyl)propan-2-yl]benzene?
The canonical SMILES for 1-bromo-2-[1-bromo-3-(4-propan-2-ylphenyl)propan-2-yl]benzene is CC(C)c1ccc(CC(CBr)c2ccccc2Br)cc1.
What is the InChIKey of 1-bromo-2-[1-bromo-3-(4-propan-2-ylphenyl)propan-2-yl]benzene?
The InChIKey is HWWBGPCARFWGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Br2/c1-13(2)15-9-7-14(8-10-15)11-16(12-19)17-5-3-4-6-18(17)20/h3-10,13,16H,11-12H2,1-2H3.
What are the key properties of 1-bromo-2-[1-bromo-3-(4-propan-2-ylphenyl)propan-2-yl]benzene?
1-bromo-2-[1-bromo-3-(4-propan-2-ylphenyl)propan-2-yl]benzene has a molecular weight of 396.17 g/mol, XLogP of 6.29, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[1-bromo-3-(4-propan-2-ylphenyl)propan-2-yl]benzene is sourced from PubChem (CID 79454413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).