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

C14H12Br2O2 — CID 114069916

IUPAC1-[2-bromo-4-(4-bromophenoxy)phenyl]ethanol
SMILESCC(O)c1ccc(Oc2ccc(Br)cc2)cc1Br
InChIInChI=1S/C14H12Br2O2/c1-9(17)13-7-6-12(8-14(13)16)18-11-4-2-10(15)3-5-11/h2-9,17H,1H3
InChIKeyBJGBMOLQNTUOBS-UHFFFAOYSA-N
MW372.06 g/mol
LogP5.06
Rot. Bonds3

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

1-[2-bromo-4-(4-bromophenoxy)phenyl]ethanol (PubChem CID 114069916) has the molecular formula C14H12Br2O2 and a molecular weight of 372.06 g/mol. Its IUPAC name is 1-[2-bromo-4-(4-bromophenoxy)phenyl]ethanol.

Molecular Properties

Compound Name1-[2-bromo-4-(4-bromophenoxy)phenyl]ethanol
PubChem CID114069916
Molecular FormulaC14H12Br2O2
Molecular Weight372.06 g/mol
Exact Mass369.92
IUPAC Name1-[2-bromo-4-(4-bromophenoxy)phenyl]ethanol
SMILESCC(O)c1ccc(Oc2ccc(Br)cc2)cc1Br
InChIInChI=1S/C14H12Br2O2/c1-9(17)13-7-6-12(8-14(13)16)18-11-4-2-10(15)3-5-11/h2-9,17H,1H3
InChIKeyBJGBMOLQNTUOBS-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

(1R)-1-[2-bromo-4-(3-methylphenoxy)phenyl]ethanol
CID 114069921
1-[4-bromo-2-(4-bromo-3-fluorophenoxy)phenyl]ethanol
CID 82971113
1-[4-bromo-2-(4-fluorophenoxy)phenyl]ethanol
CID 82971322
1-bromo-4-(4-bromophenoxy)benzene
CID 16305
1-(2-methyl-4-phenoxyphenyl)ethanol
CID 82264634
1,3,5-tris(4-bromophenoxy)benzene
CID 102025054
5-bromo-2-[(1S)-1-hydroxyethyl]phenol
CID 102949153
1-[4-[2-(4-bromophenoxy)ethoxy]-2-fluorophenyl]ethanol
CID 107719528
1-[5-bromo-2-(4-tert-butylphenoxy)phenyl]ethanol
CID 82957796
1-[4-bromo-2-(4-chloro-3-fluorophenoxy)phenyl]ethanol
CID 82971254
1-[4-bromo-2-(2,3-dihydro-1H-inden-5-yloxy)phenyl]ethanol
CID 82970896
4-[4-bromo-2-(1-hydroxyethyl)phenoxy]benzonitrile
CID 82970383

Frequently Asked Questions

What is the IUPAC name of 1-[2-bromo-4-(4-bromophenoxy)phenyl]ethanol?
The IUPAC name of 1-[2-bromo-4-(4-bromophenoxy)phenyl]ethanol (CID 114069916) is 1-[2-bromo-4-(4-bromophenoxy)phenyl]ethanol.
What is the SMILES notation for 1-[2-bromo-4-(4-bromophenoxy)phenyl]ethanol?
The canonical SMILES for 1-[2-bromo-4-(4-bromophenoxy)phenyl]ethanol is CC(O)c1ccc(Oc2ccc(Br)cc2)cc1Br.
What is the InChIKey of 1-[2-bromo-4-(4-bromophenoxy)phenyl]ethanol?
The InChIKey is BJGBMOLQNTUOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2O2/c1-9(17)13-7-6-12(8-14(13)16)18-11-4-2-10(15)3-5-11/h2-9,17H,1H3.
What are the key properties of 1-[2-bromo-4-(4-bromophenoxy)phenyl]ethanol?
1-[2-bromo-4-(4-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-[2-bromo-4-(4-bromophenoxy)phenyl]ethanol is sourced from PubChem (CID 114069916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).