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

C13H9BrCl2O2 — CID 114061460

IUPAC[5-bromo-2-(2,3-dichlorophenoxy)phenyl]methanol
SMILESOCc1cc(Br)ccc1Oc1cccc(Cl)c1Cl
InChIInChI=1S/C13H9BrCl2O2/c14-9-4-5-11(8(6-9)7-17)18-12-3-1-2-10(15)13(12)16/h1-6,17H,7H2
InChIKeyZECVMURIORFEBJ-UHFFFAOYSA-N
MW348.02 g/mol
LogP5.04
Rot. Bonds3

About [5-bromo-2-(2,3-dichlorophenoxy)phenyl]methanol

[5-bromo-2-(2,3-dichlorophenoxy)phenyl]methanol (PubChem CID 114061460) has the molecular formula C13H9BrCl2O2 and a molecular weight of 348.02 g/mol. Its IUPAC name is [5-bromo-2-(2,3-dichlorophenoxy)phenyl]methanol.

Molecular Properties

Compound Name[5-bromo-2-(2,3-dichlorophenoxy)phenyl]methanol
PubChem CID114061460
Molecular FormulaC13H9BrCl2O2
Molecular Weight348.02 g/mol
Exact Mass345.92
IUPAC Name[5-bromo-2-(2,3-dichlorophenoxy)phenyl]methanol
SMILESOCc1cc(Br)ccc1Oc1cccc(Cl)c1Cl
InChIInChI=1S/C13H9BrCl2O2/c14-9-4-5-11(8(6-9)7-17)18-12-3-1-2-10(15)13(12)16/h1-6,17H,7H2
InChIKeyZECVMURIORFEBJ-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-(2,3-dichlorophenoxy)-5-fluorophenyl]methanol
CID 43313342
[2-bromo-4-(2,3-dichlorophenoxy)phenyl]methanol
CID 114060386
[5-bromo-2-(3-bromophenoxy)phenyl]methanol
CID 114061472
[5-bromo-2-(3-chloro-2-fluorophenoxy)phenyl]methanamine
CID 114889959
1-[5-bromo-2-(2,3-dichlorophenoxy)phenyl]-N-methylethanamine
CID 82976139
[2-(4-bromo-2-propan-2-ylphenoxy)-5-chlorophenyl]methanol
CID 114846232
3-chloro-4-(2,3-dichlorophenoxy)phenol
CID 154322466
[5-bromo-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methanol
CID 28825760
[3-bromo-4-(2,3-dichlorophenoxy)phenyl]methanamine
CID 82798223
[4-bromo-2-(hydroxymethyl)phenyl] acetate
CID 130978609
[2-(4-bromo-2-chlorophenoxy)-6-chlorophenyl]methanamine
CID 28966393
(4-bromo-2-naphthalen-1-yloxyphenyl)methanol
CID 43174100

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-(2,3-dichlorophenoxy)phenyl]methanol?
The IUPAC name of [5-bromo-2-(2,3-dichlorophenoxy)phenyl]methanol (CID 114061460) is [5-bromo-2-(2,3-dichlorophenoxy)phenyl]methanol.
What is the SMILES notation for [5-bromo-2-(2,3-dichlorophenoxy)phenyl]methanol?
The canonical SMILES for [5-bromo-2-(2,3-dichlorophenoxy)phenyl]methanol is OCc1cc(Br)ccc1Oc1cccc(Cl)c1Cl.
What is the InChIKey of [5-bromo-2-(2,3-dichlorophenoxy)phenyl]methanol?
The InChIKey is ZECVMURIORFEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrCl2O2/c14-9-4-5-11(8(6-9)7-17)18-12-3-1-2-10(15)13(12)16/h1-6,17H,7H2.
What are the key properties of [5-bromo-2-(2,3-dichlorophenoxy)phenyl]methanol?
[5-bromo-2-(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 [5-bromo-2-(2,3-dichlorophenoxy)phenyl]methanol is sourced from PubChem (CID 114061460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).