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

C16H16Br2 — CID 153339834

IUPAC1-bromo-4-[(2R)-4-(4-bromophenyl)butan-2-yl]benzene
SMILESC[C@H](CCc1ccc(Br)cc1)c1ccc(Br)cc1
InChIInChI=1S/C16H16Br2/c1-12(14-6-10-16(18)11-7-14)2-3-13-4-8-15(17)9-5-13/h4-12H,2-3H2,1H3/t12-/m1/s1
InChIKeyRSLBFRSUQUAXCC-GFCCVEGCSA-N
MW368.11 g/mol
LogP5.95
Rot. Bonds4

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

1-bromo-4-[(2R)-4-(4-bromophenyl)butan-2-yl]benzene (PubChem CID 153339834) has the molecular formula C16H16Br2 and a molecular weight of 368.11 g/mol. Its IUPAC name is 1-bromo-4-[(2R)-4-(4-bromophenyl)butan-2-yl]benzene.

Molecular Properties

Compound Name1-bromo-4-[(2R)-4-(4-bromophenyl)butan-2-yl]benzene
PubChem CID153339834
Molecular FormulaC16H16Br2
Molecular Weight368.11 g/mol
Exact Mass365.96
IUPAC Name1-bromo-4-[(2R)-4-(4-bromophenyl)butan-2-yl]benzene
SMILESC[C@H](CCc1ccc(Br)cc1)c1ccc(Br)cc1
InChIInChI=1S/C16H16Br2/c1-12(14-6-10-16(18)11-7-14)2-3-13-4-8-15(17)9-5-13/h4-12H,2-3H2,1H3/t12-/m1/s1
InChIKeyRSLBFRSUQUAXCC-GFCCVEGCSA-N
XLogP5.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.11
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 18363730
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CID 174392124
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N-[(1S)-1-(4-bromophenyl)ethyl]-4-phenylbutan-2-amine
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CID 63471599

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[(2R)-4-(4-bromophenyl)butan-2-yl]benzene?
The IUPAC name of 1-bromo-4-[(2R)-4-(4-bromophenyl)butan-2-yl]benzene (CID 153339834) is 1-bromo-4-[(2R)-4-(4-bromophenyl)butan-2-yl]benzene.
What is the SMILES notation for 1-bromo-4-[(2R)-4-(4-bromophenyl)butan-2-yl]benzene?
The canonical SMILES for 1-bromo-4-[(2R)-4-(4-bromophenyl)butan-2-yl]benzene is C[C@H](CCc1ccc(Br)cc1)c1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-[(2R)-4-(4-bromophenyl)butan-2-yl]benzene?
The InChIKey is RSLBFRSUQUAXCC-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H16Br2/c1-12(14-6-10-16(18)11-7-14)2-3-13-4-8-15(17)9-5-13/h4-12H,2-3H2,1H3/t12-/m1/s1.
What are the key properties of 1-bromo-4-[(2R)-4-(4-bromophenyl)butan-2-yl]benzene?
1-bromo-4-[(2R)-4-(4-bromophenyl)butan-2-yl]benzene has a molecular weight of 368.11 g/mol, XLogP of 5.95, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[(2R)-4-(4-bromophenyl)butan-2-yl]benzene is sourced from PubChem (CID 153339834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).