1-[4-bromo-2-(2-bromophenoxy)phenyl]ethanol

C14H12Br2O2 — CID 82971318

IUPAC1-[4-bromo-2-(2-bromophenoxy)phenyl]ethanol
SMILESCC(O)c1ccc(Br)cc1Oc1ccccc1Br
InChIInChI=1S/C14H12Br2O2/c1-9(17)11-7-6-10(15)8-14(11)18-13-5-3-2-4-12(13)16/h2-9,17H,1H3
InChIKeyZPTHXRMXKYTJON-UHFFFAOYSA-N
MW372.06 g/mol
LogP5.06
Rot. Bonds3

About 1-[4-bromo-2-(2-bromophenoxy)phenyl]ethanol

1-[4-bromo-2-(2-bromophenoxy)phenyl]ethanol (PubChem CID 82971318) has the molecular formula C14H12Br2O2 and a molecular weight of 372.06 g/mol. Its IUPAC name is 1-[4-bromo-2-(2-bromophenoxy)phenyl]ethanol.

Molecular Properties

Compound Name1-[4-bromo-2-(2-bromophenoxy)phenyl]ethanol
PubChem CID82971318
Molecular FormulaC14H12Br2O2
Molecular Weight372.06 g/mol
Exact Mass369.92
IUPAC Name1-[4-bromo-2-(2-bromophenoxy)phenyl]ethanol
SMILESCC(O)c1ccc(Br)cc1Oc1ccccc1Br
InChIInChI=1S/C14H12Br2O2/c1-9(17)11-7-6-10(15)8-14(11)18-13-5-3-2-4-12(13)16/h2-9,17H,1H3
InChIKeyZPTHXRMXKYTJON-UHFFFAOYSA-N
XLogP5.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.06
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2,4-dibromophenoxy)phenyl]ethanol
CID 64720452
(1R)-1-[2-(2,4-dibromophenoxy)phenyl]ethanol
CID 78999180
1-[2-(2-amino-5-bromophenoxy)phenyl]ethanol
CID 67246950
1-[4-bromo-2-(4-bromo-2,5-dichlorophenoxy)phenyl]ethanol
CID 107659061
(1S)-1-[2-(2-bromophenoxy)-5-fluorophenyl]ethanol
CID 78941416
1-[4-bromo-2-(4-fluorophenoxy)phenyl]ethanol
CID 82971322
1-[4-bromo-2-(2-chloro-4-fluorophenoxy)phenyl]ethanol
CID 82970825
1-[4-bromo-2-(2-bromo-5-nitrophenoxy)phenyl]ethanol
CID 103010874
1-[4-bromo-2-(1-phenylethoxy)phenyl]ethanol
CID 102948374
1-[4-bromo-2-(4-bromo-3-fluorophenoxy)phenyl]ethanol
CID 82971113
(1R)-1-(4-bromo-2-ethoxyphenyl)ethanol
CID 102948595
1-[4-bromo-2-[(2-fluorophenyl)methoxy]phenyl]ethanol
CID 102948307

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-(2-bromophenoxy)phenyl]ethanol?
The IUPAC name of 1-[4-bromo-2-(2-bromophenoxy)phenyl]ethanol (CID 82971318) is 1-[4-bromo-2-(2-bromophenoxy)phenyl]ethanol.
What is the SMILES notation for 1-[4-bromo-2-(2-bromophenoxy)phenyl]ethanol?
The canonical SMILES for 1-[4-bromo-2-(2-bromophenoxy)phenyl]ethanol is CC(O)c1ccc(Br)cc1Oc1ccccc1Br.
What is the InChIKey of 1-[4-bromo-2-(2-bromophenoxy)phenyl]ethanol?
The InChIKey is ZPTHXRMXKYTJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2O2/c1-9(17)11-7-6-10(15)8-14(11)18-13-5-3-2-4-12(13)16/h2-9,17H,1H3.
What are the key properties of 1-[4-bromo-2-(2-bromophenoxy)phenyl]ethanol?
1-[4-bromo-2-(2-bromophenoxy)phenyl]ethanol has a molecular weight of 372.06 g/mol, XLogP of 5.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-(2-bromophenoxy)phenyl]ethanol is sourced from PubChem (CID 82971318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).