1-[5-bromo-2-(5-bromo-2-chlorophenoxy)phenyl]ethanol

C14H11Br2ClO2 — CID 82970318

IUPAC1-[5-bromo-2-(5-bromo-2-chlorophenoxy)phenyl]ethanol
SMILESCC(O)c1cc(Br)ccc1Oc1cc(Br)ccc1Cl
InChIInChI=1S/C14H11Br2ClO2/c1-8(18)11-6-9(15)3-5-13(11)19-14-7-10(16)2-4-12(14)17/h2-8,18H,1H3
InChIKeyRHOGRHGPRPAIHG-UHFFFAOYSA-N
MW406.50 g/mol
LogP5.71
Rot. Bonds3

About 1-[5-bromo-2-(5-bromo-2-chlorophenoxy)phenyl]ethanol

1-[5-bromo-2-(5-bromo-2-chlorophenoxy)phenyl]ethanol (PubChem CID 82970318) has the molecular formula C14H11Br2ClO2 and a molecular weight of 406.50 g/mol. Its IUPAC name is 1-[5-bromo-2-(5-bromo-2-chlorophenoxy)phenyl]ethanol.

Molecular Properties

Compound Name1-[5-bromo-2-(5-bromo-2-chlorophenoxy)phenyl]ethanol
PubChem CID82970318
Molecular FormulaC14H11Br2ClO2
Molecular Weight406.50 g/mol
Exact Mass403.88
IUPAC Name1-[5-bromo-2-(5-bromo-2-chlorophenoxy)phenyl]ethanol
SMILESCC(O)c1cc(Br)ccc1Oc1cc(Br)ccc1Cl
InChIInChI=1S/C14H11Br2ClO2/c1-8(18)11-6-9(15)3-5-13(11)19-14-7-10(16)2-4-12(14)17/h2-8,18H,1H3
InChIKeyRHOGRHGPRPAIHG-UHFFFAOYSA-N
XLogP5.71
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.50
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-bromo-2-(2,5-dichlorophenoxy)phenyl]ethanol
CID 82970963
(1S)-1-[2-(5-bromo-2-chlorophenoxy)-5-fluorophenyl]ethanol
CID 78955958
1-[5-bromo-2-(2-chloro-4-fluorophenoxy)phenyl]ethanol
CID 82970752
1-[5-bromo-2-(4-chloro-3-methylphenoxy)phenyl]ethanol
CID 82970379
1-[5-bromo-2-(3-chlorophenoxy)phenyl]ethanol
CID 82970527
1-[4-bromo-2-(4-bromo-2,5-dichlorophenoxy)phenyl]ethanol
CID 107659061
1-[5-bromo-2-(2,5-dimethylphenoxy)phenyl]ethanol
CID 82970526
1-[4-bromo-2-(2-chloro-4-fluorophenoxy)phenyl]ethanol
CID 82970825
(1S)-1-[2-(2,5-dichlorophenoxy)-5-fluorophenyl]ethanol
CID 55183586
(1S)-1-[5-bromo-2-[(4-bromo-2-chlorophenyl)methoxy]phenyl]ethanol
CID 104862353
1-[5-bromo-2-(2-butan-2-ylphenoxy)phenyl]ethanol
CID 82959280
1-[5-bromo-2-(4-tert-butylphenoxy)phenyl]ethanol
CID 82957796

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-(5-bromo-2-chlorophenoxy)phenyl]ethanol?
The IUPAC name of 1-[5-bromo-2-(5-bromo-2-chlorophenoxy)phenyl]ethanol (CID 82970318) is 1-[5-bromo-2-(5-bromo-2-chlorophenoxy)phenyl]ethanol.
What is the SMILES notation for 1-[5-bromo-2-(5-bromo-2-chlorophenoxy)phenyl]ethanol?
The canonical SMILES for 1-[5-bromo-2-(5-bromo-2-chlorophenoxy)phenyl]ethanol is CC(O)c1cc(Br)ccc1Oc1cc(Br)ccc1Cl.
What is the InChIKey of 1-[5-bromo-2-(5-bromo-2-chlorophenoxy)phenyl]ethanol?
The InChIKey is RHOGRHGPRPAIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2ClO2/c1-8(18)11-6-9(15)3-5-13(11)19-14-7-10(16)2-4-12(14)17/h2-8,18H,1H3.
What are the key properties of 1-[5-bromo-2-(5-bromo-2-chlorophenoxy)phenyl]ethanol?
1-[5-bromo-2-(5-bromo-2-chlorophenoxy)phenyl]ethanol has a molecular weight of 406.50 g/mol, XLogP of 5.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-(5-bromo-2-chlorophenoxy)phenyl]ethanol is sourced from PubChem (CID 82970318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).