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

C15H14Br2 — CID 11221951

IUPAC1-bromo-4-[1-(4-bromophenyl)propan-2-yl]benzene
SMILESCC(Cc1ccc(Br)cc1)c1ccc(Br)cc1
InChIInChI=1S/C15H14Br2/c1-11(13-4-8-15(17)9-5-13)10-12-2-6-14(16)7-3-12/h2-9,11H,10H2,1H3
InChIKeyKIOCYSQNAOJWKM-UHFFFAOYSA-N
MW354.09 g/mol
LogP5.56
Rot. Bonds3

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

1-bromo-4-[1-(4-bromophenyl)propan-2-yl]benzene (PubChem CID 11221951) has the molecular formula C15H14Br2 and a molecular weight of 354.09 g/mol. Its IUPAC name is 1-bromo-4-[1-(4-bromophenyl)propan-2-yl]benzene.

Molecular Properties

Compound Name1-bromo-4-[1-(4-bromophenyl)propan-2-yl]benzene
PubChem CID11221951
Molecular FormulaC15H14Br2
Molecular Weight354.09 g/mol
Exact Mass351.95
IUPAC Name1-bromo-4-[1-(4-bromophenyl)propan-2-yl]benzene
SMILESCC(Cc1ccc(Br)cc1)c1ccc(Br)cc1
InChIInChI=1S/C15H14Br2/c1-11(13-4-8-15(17)9-5-13)10-12-2-6-14(16)7-3-12/h2-9,11H,10H2,1H3
InChIKeyKIOCYSQNAOJWKM-UHFFFAOYSA-N
XLogP5.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.09
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-bromo-4-[(2R)-4-(4-bromophenyl)butan-2-yl]benzene
CID 153339834
1,4-bis(2-phenylpropyl)benzene
CID 19376086
1-bromo-4-(2-bromopropyl)benzene
CID 63017795
(2S)-2-(4-bromophenyl)propan-1-amine
CID 23566380
1-phenyl-4-[1-(4-phenylphenyl)propan-2-yl]benzene
CID 142290495
1-[(2S)-1-bromopropan-2-yl]-4-(2-methylpropyl)benzene
CID 11043315
(2S)-3-(4-bromophenyl)-2-methylpropanoic acid
CID 59063206
4-[2-(4-formylphenyl)propyl]benzaldehyde
CID 141344923
[(2R)-1-phenylpropan-2-yl]benzene
CID 11138041
2-(4-bromophenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 43480571
(2R)-3-(4-bromophenyl)-2-methylpropan-1-amine
CID 94460671
ethane;1-phenylpropan-2-ylbenzene
CID 142097323

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[1-(4-bromophenyl)propan-2-yl]benzene?
The IUPAC name of 1-bromo-4-[1-(4-bromophenyl)propan-2-yl]benzene (CID 11221951) is 1-bromo-4-[1-(4-bromophenyl)propan-2-yl]benzene.
What is the SMILES notation for 1-bromo-4-[1-(4-bromophenyl)propan-2-yl]benzene?
The canonical SMILES for 1-bromo-4-[1-(4-bromophenyl)propan-2-yl]benzene is CC(Cc1ccc(Br)cc1)c1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-[1-(4-bromophenyl)propan-2-yl]benzene?
The InChIKey is KIOCYSQNAOJWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2/c1-11(13-4-8-15(17)9-5-13)10-12-2-6-14(16)7-3-12/h2-9,11H,10H2,1H3.
What are the key properties of 1-bromo-4-[1-(4-bromophenyl)propan-2-yl]benzene?
1-bromo-4-[1-(4-bromophenyl)propan-2-yl]benzene has a molecular weight of 354.09 g/mol, XLogP of 5.56, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[1-(4-bromophenyl)propan-2-yl]benzene is sourced from PubChem (CID 11221951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).