2-[4-(4-bromophenoxy)phenoxy]propan-1-ol

C15H15BrO3 — CID 21408033

IUPAC2-[4-(4-bromophenoxy)phenoxy]propan-1-ol
SMILESCC(CO)Oc1ccc(Oc2ccc(Br)cc2)cc1
InChIInChI=1S/C15H15BrO3/c1-11(10-17)18-13-6-8-15(9-7-13)19-14-4-2-12(16)3-5-14/h2-9,11,17H,10H2,1H3
InChIKeyFWCHZLPZIRPFPJ-UHFFFAOYSA-N
MW323.19 g/mol
LogP4.00
Rot. Bonds5

About 2-[4-(4-bromophenoxy)phenoxy]propan-1-ol

2-[4-(4-bromophenoxy)phenoxy]propan-1-ol (PubChem CID 21408033) has the molecular formula C15H15BrO3 and a molecular weight of 323.19 g/mol. Its IUPAC name is 2-[4-(4-bromophenoxy)phenoxy]propan-1-ol.

Molecular Properties

Compound Name2-[4-(4-bromophenoxy)phenoxy]propan-1-ol
PubChem CID21408033
Molecular FormulaC15H15BrO3
Molecular Weight323.19 g/mol
Exact Mass322.02
IUPAC Name2-[4-(4-bromophenoxy)phenoxy]propan-1-ol
SMILESCC(CO)Oc1ccc(Oc2ccc(Br)cc2)cc1
InChIInChI=1S/C15H15BrO3/c1-11(10-17)18-13-6-8-15(9-7-13)19-14-4-2-12(16)3-5-14/h2-9,11,17H,10H2,1H3
InChIKeyFWCHZLPZIRPFPJ-UHFFFAOYSA-N
XLogP4.00
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-bromonaphthalen-2-yl)oxypropan-1-ol
CID 18367588
ethane;2-(4-propan-2-ylphenoxy)propan-1-ol
CID 144970889
benzene;ethane;2-phenoxypropan-1-ol
CID 145115512
1-bromo-4-(4-bromophenoxy)benzene
CID 16305
2-(4-bromophenoxy)-N-propan-2-ylpropan-1-amine
CID 62454236
(2S)-2-(4-phenylphenoxy)propan-1-ol
CID 57166864
2-[4-tri(propan-2-yl)silyloxyphenoxy]propan-1-ol
CID 46939521
2-(4-butan-2-ylphenoxy)propan-1-ol
CID 54018787
[(2S)-2-(4-bromophenoxy)propyl]carbamic acid
CID 68731194
[4-(4-bromophenoxy)phenyl]methanol
CID 28946070
2-[4-(2,4-dichlorophenoxy)phenoxy]propan-1-ol
CID 12804883
1-bromo-4-(1-bromoethoxy)benzene
CID 68938279

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-bromophenoxy)phenoxy]propan-1-ol?
The IUPAC name of 2-[4-(4-bromophenoxy)phenoxy]propan-1-ol (CID 21408033) is 2-[4-(4-bromophenoxy)phenoxy]propan-1-ol.
What is the SMILES notation for 2-[4-(4-bromophenoxy)phenoxy]propan-1-ol?
The canonical SMILES for 2-[4-(4-bromophenoxy)phenoxy]propan-1-ol is CC(CO)Oc1ccc(Oc2ccc(Br)cc2)cc1.
What is the InChIKey of 2-[4-(4-bromophenoxy)phenoxy]propan-1-ol?
The InChIKey is FWCHZLPZIRPFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrO3/c1-11(10-17)18-13-6-8-15(9-7-13)19-14-4-2-12(16)3-5-14/h2-9,11,17H,10H2,1H3.
What are the key properties of 2-[4-(4-bromophenoxy)phenoxy]propan-1-ol?
2-[4-(4-bromophenoxy)phenoxy]propan-1-ol has a molecular weight of 323.19 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-bromophenoxy)phenoxy]propan-1-ol is sourced from PubChem (CID 21408033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).