[2-bromo-4-(2,3-dichlorophenoxy)phenyl]methanol

C13H9BrCl2O2 — CID 114060386

IUPAC[2-bromo-4-(2,3-dichlorophenoxy)phenyl]methanol
SMILESOCc1ccc(Oc2cccc(Cl)c2Cl)cc1Br
InChIInChI=1S/C13H9BrCl2O2/c14-10-6-9(5-4-8(10)7-17)18-12-3-1-2-11(15)13(12)16/h1-6,17H,7H2
InChIKeyXIHCMGFENWSSBY-UHFFFAOYSA-N
MW348.02 g/mol
LogP5.04
Rot. Bonds3

About [2-bromo-4-(2,3-dichlorophenoxy)phenyl]methanol

[2-bromo-4-(2,3-dichlorophenoxy)phenyl]methanol (PubChem CID 114060386) has the molecular formula C13H9BrCl2O2 and a molecular weight of 348.02 g/mol. Its IUPAC name is [2-bromo-4-(2,3-dichlorophenoxy)phenyl]methanol.

Molecular Properties

Compound Name[2-bromo-4-(2,3-dichlorophenoxy)phenyl]methanol
PubChem CID114060386
Molecular FormulaC13H9BrCl2O2
Molecular Weight348.02 g/mol
Exact Mass345.92
IUPAC Name[2-bromo-4-(2,3-dichlorophenoxy)phenyl]methanol
SMILESOCc1ccc(Oc2cccc(Cl)c2Cl)cc1Br
InChIInChI=1S/C13H9BrCl2O2/c14-10-6-9(5-4-8(10)7-17)18-12-3-1-2-11(15)13(12)16/h1-6,17H,7H2
InChIKeyXIHCMGFENWSSBY-UHFFFAOYSA-N
XLogP5.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.02
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-bromo-4-(2-chlorophenoxy)phenyl]methanol
CID 114060389
[5-bromo-2-(2,3-dichlorophenoxy)phenyl]methanol
CID 114061460
[2-bromo-4-(4-chlorophenoxy)phenyl]methanol
CID 66738685
[2-(2,3-dichlorophenoxy)-5-fluorophenyl]methanol
CID 43313342
[2-bromo-4-(5-fluoro-2-methylphenoxy)phenyl]methanol
CID 114060424
1,2-dichloro-3-(3-chlorophenoxy)benzene
CID 72941852
[2-(3-bromo-4-fluorophenoxy)phenyl]methanol
CID 83235131
[4-(2-bromo-4-methylphenoxy)-2-chlorophenyl]methanol
CID 114064332
(2-chloro-3-phenoxyphenyl)methanol
CID 157201139
1-bromo-2-[(2,3-dichlorophenoxy)methyl]-4-methoxybenzene
CID 65326523
2-chloro-4-[2-(hydroxymethyl)phenoxy]benzaldehyde
CID 114064189
1,2-dichloro-3-(2,6-dichlorophenoxy)benzene
CID 72941859

Frequently Asked Questions

What is the IUPAC name of [2-bromo-4-(2,3-dichlorophenoxy)phenyl]methanol?
The IUPAC name of [2-bromo-4-(2,3-dichlorophenoxy)phenyl]methanol (CID 114060386) is [2-bromo-4-(2,3-dichlorophenoxy)phenyl]methanol.
What is the SMILES notation for [2-bromo-4-(2,3-dichlorophenoxy)phenyl]methanol?
The canonical SMILES for [2-bromo-4-(2,3-dichlorophenoxy)phenyl]methanol is OCc1ccc(Oc2cccc(Cl)c2Cl)cc1Br.
What is the InChIKey of [2-bromo-4-(2,3-dichlorophenoxy)phenyl]methanol?
The InChIKey is XIHCMGFENWSSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrCl2O2/c14-10-6-9(5-4-8(10)7-17)18-12-3-1-2-11(15)13(12)16/h1-6,17H,7H2.
What are the key properties of [2-bromo-4-(2,3-dichlorophenoxy)phenyl]methanol?
[2-bromo-4-(2,3-dichlorophenoxy)phenyl]methanol has a molecular weight of 348.02 g/mol, XLogP of 5.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-4-(2,3-dichlorophenoxy)phenyl]methanol is sourced from PubChem (CID 114060386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).