1-bromo-2-[1-(2-bromophenoxy)propoxy]benzene

C15H14Br2O2 — CID 69347469

IUPAC1-bromo-2-[1-(2-bromophenoxy)propoxy]benzene
SMILESCCC(Oc1ccccc1Br)Oc1ccccc1Br
InChIInChI=1S/C15H14Br2O2/c1-2-15(18-13-9-5-3-7-11(13)16)19-14-10-6-4-8-12(14)17/h3-10,15H,2H2,1H3
InChIKeyVUYZDDBQBUTAGW-UHFFFAOYSA-N
MW386.08 g/mol
LogP5.41
Rot. Bonds5

About 1-bromo-2-[1-(2-bromophenoxy)propoxy]benzene

1-bromo-2-[1-(2-bromophenoxy)propoxy]benzene (PubChem CID 69347469) has the molecular formula C15H14Br2O2 and a molecular weight of 386.08 g/mol. Its IUPAC name is 1-bromo-2-[1-(2-bromophenoxy)propoxy]benzene.

Molecular Properties

Compound Name1-bromo-2-[1-(2-bromophenoxy)propoxy]benzene
PubChem CID69347469
Molecular FormulaC15H14Br2O2
Molecular Weight386.08 g/mol
Exact Mass383.94
IUPAC Name1-bromo-2-[1-(2-bromophenoxy)propoxy]benzene
SMILESCCC(Oc1ccccc1Br)Oc1ccccc1Br
InChIInChI=1S/C15H14Br2O2/c1-2-15(18-13-9-5-3-7-11(13)16)19-14-10-6-4-8-12(14)17/h3-10,15H,2H2,1H3
InChIKeyVUYZDDBQBUTAGW-UHFFFAOYSA-N
XLogP5.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.08
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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CID 66986707
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CID 18786119
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CID 43117128
1-bromo-2-(4-ethylhexoxy)benzene
CID 141091967
4-(2-bromophenoxy)pentan-2-one
CID 64698957
1-bromo-2-[(2R)-but-3-en-2-yl]oxybenzene
CID 11644280
1-(2-bromophenoxy)-1-(3-bromophenyl)butan-2-amine
CID 63460434
(1R)-1-[2-(2-bromophenoxy)phenyl]propan-1-ol
CID 113359072
(3S)-3-(2-bromophenoxy)butanoic acid
CID 71742862
1-[2-(2-bromophenoxy)phenyl]propan-1-amine
CID 112678376
1,4-dibromo-2,5-di(pentan-3-yloxy)benzene
CID 102111957
N-[(2S)-2-(2-bromophenoxy)propyl]ethanesulfonamide
CID 95972881

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[1-(2-bromophenoxy)propoxy]benzene?
The IUPAC name of 1-bromo-2-[1-(2-bromophenoxy)propoxy]benzene (CID 69347469) is 1-bromo-2-[1-(2-bromophenoxy)propoxy]benzene.
What is the SMILES notation for 1-bromo-2-[1-(2-bromophenoxy)propoxy]benzene?
The canonical SMILES for 1-bromo-2-[1-(2-bromophenoxy)propoxy]benzene is CCC(Oc1ccccc1Br)Oc1ccccc1Br.
What is the InChIKey of 1-bromo-2-[1-(2-bromophenoxy)propoxy]benzene?
The InChIKey is VUYZDDBQBUTAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2O2/c1-2-15(18-13-9-5-3-7-11(13)16)19-14-10-6-4-8-12(14)17/h3-10,15H,2H2,1H3.
What are the key properties of 1-bromo-2-[1-(2-bromophenoxy)propoxy]benzene?
1-bromo-2-[1-(2-bromophenoxy)propoxy]benzene has a molecular weight of 386.08 g/mol, XLogP of 5.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[1-(2-bromophenoxy)propoxy]benzene is sourced from PubChem (CID 69347469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).