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

C14H10Br2Cl2O2 — CID 107659061

IUPAC1-[4-bromo-2-(4-bromo-2,5-dichlorophenoxy)phenyl]ethanol
SMILESCC(O)c1ccc(Br)cc1Oc1cc(Cl)c(Br)cc1Cl
InChIInChI=1S/C14H10Br2Cl2O2/c1-7(19)9-3-2-8(15)4-13(9)20-14-6-11(17)10(16)5-12(14)18/h2-7,19H,1H3
InChIKeyVNUNQGSNEGZWRM-UHFFFAOYSA-N
MW440.95 g/mol
LogP6.36
Rot. Bonds3

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

1-[4-bromo-2-(4-bromo-2,5-dichlorophenoxy)phenyl]ethanol (PubChem CID 107659061) has the molecular formula C14H10Br2Cl2O2 and a molecular weight of 440.95 g/mol. Its IUPAC name is 1-[4-bromo-2-(4-bromo-2,5-dichlorophenoxy)phenyl]ethanol.

Molecular Properties

Compound Name1-[4-bromo-2-(4-bromo-2,5-dichlorophenoxy)phenyl]ethanol
PubChem CID107659061
Molecular FormulaC14H10Br2Cl2O2
Molecular Weight440.95 g/mol
Exact Mass437.84
IUPAC Name1-[4-bromo-2-(4-bromo-2,5-dichlorophenoxy)phenyl]ethanol
SMILESCC(O)c1ccc(Br)cc1Oc1cc(Cl)c(Br)cc1Cl
InChIInChI=1S/C14H10Br2Cl2O2/c1-7(19)9-3-2-8(15)4-13(9)20-14-6-11(17)10(16)5-12(14)18/h2-7,19H,1H3
InChIKeyVNUNQGSNEGZWRM-UHFFFAOYSA-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'}

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Related Compounds

1-[4-bromo-2-(2-chloro-4-fluorophenoxy)phenyl]ethanol
CID 82970825
1-[5-bromo-2-(5-bromo-2-chlorophenoxy)phenyl]ethanol
CID 82970318
1-[4-bromo-2-(2-bromophenoxy)phenyl]ethanol
CID 82971318
(1S)-1-[3-bromo-4-(4-bromo-2,5-dichlorophenoxy)phenyl]ethanol
CID 107659040
1-[4-bromo-2-(4-chloro-3-fluorophenoxy)phenyl]ethanol
CID 82971254
4-bromo-2-(4-bromo-2,5-dichlorophenoxy)benzenecarbothioamide
CID 107658112
(1R)-1-[2-(4-bromo-2,5-dichlorophenoxy)-6-fluorophenyl]ethanol
CID 107659058
1-[4-bromo-2-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanol
CID 82970681
(1S)-1-[2-(4-bromo-2,5-dichlorophenoxy)-6-fluorophenyl]ethanol
CID 107659074
(1S)-1-[2-(5-bromo-2-chlorophenoxy)-5-fluorophenyl]ethanol
CID 78955958
1-[5-bromo-2-(2,5-dichlorophenoxy)phenyl]ethanol
CID 82970963
1-[4-bromo-2-(4-fluorophenoxy)phenyl]ethanol
CID 82971322

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-(4-bromo-2,5-dichlorophenoxy)phenyl]ethanol?
The IUPAC name of 1-[4-bromo-2-(4-bromo-2,5-dichlorophenoxy)phenyl]ethanol (CID 107659061) is 1-[4-bromo-2-(4-bromo-2,5-dichlorophenoxy)phenyl]ethanol.
What is the SMILES notation for 1-[4-bromo-2-(4-bromo-2,5-dichlorophenoxy)phenyl]ethanol?
The canonical SMILES for 1-[4-bromo-2-(4-bromo-2,5-dichlorophenoxy)phenyl]ethanol is CC(O)c1ccc(Br)cc1Oc1cc(Cl)c(Br)cc1Cl.
What is the InChIKey of 1-[4-bromo-2-(4-bromo-2,5-dichlorophenoxy)phenyl]ethanol?
The InChIKey is VNUNQGSNEGZWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2Cl2O2/c1-7(19)9-3-2-8(15)4-13(9)20-14-6-11(17)10(16)5-12(14)18/h2-7,19H,1H3.
What are the key properties of 1-[4-bromo-2-(4-bromo-2,5-dichlorophenoxy)phenyl]ethanol?
1-[4-bromo-2-(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 1-[4-bromo-2-(4-bromo-2,5-dichlorophenoxy)phenyl]ethanol is sourced from PubChem (CID 107659061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).