(1R)-1-[2-(2,4-dibromophenoxy)phenyl]ethanol

C14H12Br2O2 — CID 78999180

IUPAC(1R)-1-[2-(2,4-dibromophenoxy)phenyl]ethanol
SMILESC[C@@H](O)c1ccccc1Oc1ccc(Br)cc1Br
InChIInChI=1S/C14H12Br2O2/c1-9(17)11-4-2-3-5-13(11)18-14-7-6-10(15)8-12(14)16/h2-9,17H,1H3/t9-/m1/s1
InChIKeyPIAOKAODSGLTBC-SECBINFHSA-N
MW372.06 g/mol
LogP5.06
Rot. Bonds3

About (1R)-1-[2-(2,4-dibromophenoxy)phenyl]ethanol

(1R)-1-[2-(2,4-dibromophenoxy)phenyl]ethanol (PubChem CID 78999180) has the molecular formula C14H12Br2O2 and a molecular weight of 372.06 g/mol. Its IUPAC name is (1R)-1-[2-(2,4-dibromophenoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-(2,4-dibromophenoxy)phenyl]ethanol
PubChem CID78999180
Molecular FormulaC14H12Br2O2
Molecular Weight372.06 g/mol
Exact Mass369.92
IUPAC Name(1R)-1-[2-(2,4-dibromophenoxy)phenyl]ethanol
SMILESC[C@@H](O)c1ccccc1Oc1ccc(Br)cc1Br
InChIInChI=1S/C14H12Br2O2/c1-9(17)11-4-2-3-5-13(11)18-14-7-6-10(15)8-12(14)16/h2-9,17H,1H3/t9-/m1/s1
InChIKeyPIAOKAODSGLTBC-SECBINFHSA-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
1-[4-bromo-2-(2-bromophenoxy)phenyl]ethanol
CID 82971318
1-[2-(2-amino-5-bromophenoxy)phenyl]ethanol
CID 67246950
1-[5-bromo-2-(2-butan-2-ylphenoxy)phenyl]ethanol
CID 82959280
(1S)-1-[2-(2-bromophenoxy)-5-fluorophenyl]ethanol
CID 78941416
1-[3-bromo-4-(4-bromo-2-propan-2-ylphenoxy)phenyl]ethanol
CID 115402404
1-[2-(2,4-dibromophenoxy)phenyl]-N-methylpropan-1-amine
CID 115995706
(1R)-1-[3-bromo-4-(2-butan-2-ylphenoxy)phenyl]ethanol
CID 63541744
1-[5-bromo-2-(5-bromo-2-chlorophenoxy)phenyl]ethanol
CID 82970318
1-[5-bromo-2-(2-propan-2-ylphenoxy)phenyl]ethanamine
CID 82976372
1-[2-(4-bromo-3-fluorophenoxy)phenyl]ethanol
CID 65201173
1-[2-(4-bromo-2-methylphenoxy)-5-fluorophenyl]ethanol
CID 63540649

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(2,4-dibromophenoxy)phenyl]ethanol?
The IUPAC name of (1R)-1-[2-(2,4-dibromophenoxy)phenyl]ethanol (CID 78999180) is (1R)-1-[2-(2,4-dibromophenoxy)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-(2,4-dibromophenoxy)phenyl]ethanol?
The canonical SMILES for (1R)-1-[2-(2,4-dibromophenoxy)phenyl]ethanol is C[C@@H](O)c1ccccc1Oc1ccc(Br)cc1Br.
What is the InChIKey of (1R)-1-[2-(2,4-dibromophenoxy)phenyl]ethanol?
The InChIKey is PIAOKAODSGLTBC-SECBINFHSA-N. The full InChI is InChI=1S/C14H12Br2O2/c1-9(17)11-4-2-3-5-13(11)18-14-7-6-10(15)8-12(14)16/h2-9,17H,1H3/t9-/m1/s1.
What are the key properties of (1R)-1-[2-(2,4-dibromophenoxy)phenyl]ethanol?
(1R)-1-[2-(2,4-dibromophenoxy)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 (1R)-1-[2-(2,4-dibromophenoxy)phenyl]ethanol is sourced from PubChem (CID 78999180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).