(1S)-1-[3-bromo-4-(4-bromo-2,5-dichlorophenoxy)phenyl]ethanol

C14H10Br2Cl2O2 — CID 107659040

IUPAC(1S)-1-[3-bromo-4-(4-bromo-2,5-dichlorophenoxy)phenyl]ethanol
SMILESC[C@H](O)c1ccc(Oc2cc(Cl)c(Br)cc2Cl)c(Br)c1
InChIInChI=1S/C14H10Br2Cl2O2/c1-7(19)8-2-3-13(10(16)4-8)20-14-6-11(17)9(15)5-12(14)18/h2-7,19H,1H3/t7-/m0/s1
InChIKeyWOXKJCCFCIURQA-ZETCQYMHSA-N
MW440.95 g/mol
LogP6.36
Rot. Bonds3

About (1S)-1-[3-bromo-4-(4-bromo-2,5-dichlorophenoxy)phenyl]ethanol

(1S)-1-[3-bromo-4-(4-bromo-2,5-dichlorophenoxy)phenyl]ethanol (PubChem CID 107659040) has the molecular formula C14H10Br2Cl2O2 and a molecular weight of 440.95 g/mol. Its IUPAC name is (1S)-1-[3-bromo-4-(4-bromo-2,5-dichlorophenoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[3-bromo-4-(4-bromo-2,5-dichlorophenoxy)phenyl]ethanol
PubChem CID107659040
Molecular FormulaC14H10Br2Cl2O2
Molecular Weight440.95 g/mol
Exact Mass437.84
IUPAC Name(1S)-1-[3-bromo-4-(4-bromo-2,5-dichlorophenoxy)phenyl]ethanol
SMILESC[C@H](O)c1ccc(Oc2cc(Cl)c(Br)cc2Cl)c(Br)c1
InChIInChI=1S/C14H10Br2Cl2O2/c1-7(19)8-2-3-13(10(16)4-8)20-14-6-11(17)9(15)5-12(14)18/h2-7,19H,1H3/t7-/m0/s1
InChIKeyWOXKJCCFCIURQA-ZETCQYMHSA-N
XLogP6.36
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.95
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze (1S)-1-[3-bromo-4-(4-bromo-2,5-dichlorophenoxy)phenyl]ethanol with MolForge

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Related Compounds

1-[6-(4-bromo-2,5-dichlorophenoxy)-3-pyridinyl]ethanol
CID 107659083
(1S)-1-[3-bromo-4-(3,5-dichlorophenoxy)phenyl]ethanol
CID 55221480
(1R)-1-[3-bromo-4-(2,4,5-trichlorophenoxy)phenyl]ethanamine
CID 78944496
(1R)-1-(3-bromo-4-chlorophenyl)ethanol
CID 112756230
1-[3-bromo-4-(4-bromo-2-propan-2-ylphenoxy)phenyl]ethanol
CID 115402404
1-[3-bromo-4-(4-chloro-3-methylphenoxy)phenyl]ethanol
CID 63539732
1-[4-bromo-2-(4-bromo-2,5-dichlorophenoxy)phenyl]ethanol
CID 107659061
(1S)-1-[3-bromo-4-(2,3,5-trimethylphenoxy)phenyl]ethanol
CID 78944847
1-[3-bromo-4-(4-chloro-3-fluorophenoxy)phenyl]ethanol
CID 82716734
(1R)-1-[2-(4-bromo-2,5-dichlorophenoxy)-6-fluorophenyl]ethanol
CID 107659058
(1S)-1-[2-(4-bromo-2,5-dichlorophenoxy)-6-fluorophenyl]ethanol
CID 107659074
(1R)-1-[3-chloro-4-(2-chloro-4-methylphenoxy)phenyl]ethanol
CID 63374748

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-bromo-4-(4-bromo-2,5-dichlorophenoxy)phenyl]ethanol?
The IUPAC name of (1S)-1-[3-bromo-4-(4-bromo-2,5-dichlorophenoxy)phenyl]ethanol (CID 107659040) is (1S)-1-[3-bromo-4-(4-bromo-2,5-dichlorophenoxy)phenyl]ethanol.
What is the SMILES notation for (1S)-1-[3-bromo-4-(4-bromo-2,5-dichlorophenoxy)phenyl]ethanol?
The canonical SMILES for (1S)-1-[3-bromo-4-(4-bromo-2,5-dichlorophenoxy)phenyl]ethanol is C[C@H](O)c1ccc(Oc2cc(Cl)c(Br)cc2Cl)c(Br)c1.
What is the InChIKey of (1S)-1-[3-bromo-4-(4-bromo-2,5-dichlorophenoxy)phenyl]ethanol?
The InChIKey is WOXKJCCFCIURQA-ZETCQYMHSA-N. The full InChI is InChI=1S/C14H10Br2Cl2O2/c1-7(19)8-2-3-13(10(16)4-8)20-14-6-11(17)9(15)5-12(14)18/h2-7,19H,1H3/t7-/m0/s1.
What are the key properties of (1S)-1-[3-bromo-4-(4-bromo-2,5-dichlorophenoxy)phenyl]ethanol?
(1S)-1-[3-bromo-4-(4-bromo-2,5-dichlorophenoxy)phenyl]ethanol has a molecular weight of 440.95 g/mol, XLogP of 6.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-bromo-4-(4-bromo-2,5-dichlorophenoxy)phenyl]ethanol is sourced from PubChem (CID 107659040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).