[2-(2-bromo-4-chloro-5-fluorophenoxy)phenyl]methanol

C13H9BrClFO2 — CID 114042695

IUPAC[2-(2-bromo-4-chloro-5-fluorophenoxy)phenyl]methanol
SMILESOCc1ccccc1Oc1cc(F)c(Cl)cc1Br
InChIInChI=1S/C13H9BrClFO2/c14-9-5-10(15)11(16)6-13(9)18-12-4-2-1-3-8(12)7-17/h1-6,17H,7H2
InChIKeyGSSSNHQKRKQWLK-UHFFFAOYSA-N
MW331.57 g/mol
LogP4.53
Rot. Bonds3

About [2-(2-bromo-4-chloro-5-fluorophenoxy)phenyl]methanol

[2-(2-bromo-4-chloro-5-fluorophenoxy)phenyl]methanol (PubChem CID 114042695) has the molecular formula C13H9BrClFO2 and a molecular weight of 331.57 g/mol. Its IUPAC name is [2-(2-bromo-4-chloro-5-fluorophenoxy)phenyl]methanol.

Molecular Properties

Compound Name[2-(2-bromo-4-chloro-5-fluorophenoxy)phenyl]methanol
PubChem CID114042695
Molecular FormulaC13H9BrClFO2
Molecular Weight331.57 g/mol
Exact Mass329.95
IUPAC Name[2-(2-bromo-4-chloro-5-fluorophenoxy)phenyl]methanol
SMILESOCc1ccccc1Oc1cc(F)c(Cl)cc1Br
InChIInChI=1S/C13H9BrClFO2/c14-9-5-10(15)11(16)6-13(9)18-12-4-2-1-3-8(12)7-17/h1-6,17H,7H2
InChIKeyGSSSNHQKRKQWLK-UHFFFAOYSA-N
XLogP4.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.57
LogP ≤ 54.53
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-bromo-5-chloro-2-[2-chloro-6-(chloromethyl)phenoxy]-4-fluorobenzene
CID 114068078
[2-(2-amino-5-bromo-4-fluorophenoxy)phenyl]methanol
CID 116736523
[2-(5-bromo-2,3-difluorophenoxy)phenyl]methanol
CID 107100181
[2-(3-bromo-4-fluorophenoxy)phenyl]methanol
CID 83235131
[2-(2-bromo-4-fluorophenoxy)-5-chlorophenyl]methanol
CID 114845999
[4-(2-bromo-4-chloro-5-fluorophenoxy)pyrimidin-5-yl]methanol
CID 114215368
[6-(2-bromo-4-chloro-5-fluorophenoxy)pyridazin-3-yl]methanol
CID 114042755
3-(2-bromo-4-chloro-5-fluorophenoxy)pyridine-2-carbonitrile
CID 114042653
2-bromo-4-chloro-1-[2-(chloromethyl)phenoxy]benzene
CID 28947283
[2-(2-bromo-4-fluorophenoxy)-5-fluorophenyl]methanol
CID 43313412
3-bromo-4-[2-(hydroxymethyl)phenoxy]benzoic acid
CID 82801751
5-chloro-2-[2-(hydroxymethyl)phenoxy]benzoic acid
CID 63652911

Frequently Asked Questions

What is the IUPAC name of [2-(2-bromo-4-chloro-5-fluorophenoxy)phenyl]methanol?
The IUPAC name of [2-(2-bromo-4-chloro-5-fluorophenoxy)phenyl]methanol (CID 114042695) is [2-(2-bromo-4-chloro-5-fluorophenoxy)phenyl]methanol.
What is the SMILES notation for [2-(2-bromo-4-chloro-5-fluorophenoxy)phenyl]methanol?
The canonical SMILES for [2-(2-bromo-4-chloro-5-fluorophenoxy)phenyl]methanol is OCc1ccccc1Oc1cc(F)c(Cl)cc1Br.
What is the InChIKey of [2-(2-bromo-4-chloro-5-fluorophenoxy)phenyl]methanol?
The InChIKey is GSSSNHQKRKQWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClFO2/c14-9-5-10(15)11(16)6-13(9)18-12-4-2-1-3-8(12)7-17/h1-6,17H,7H2.
What are the key properties of [2-(2-bromo-4-chloro-5-fluorophenoxy)phenyl]methanol?
[2-(2-bromo-4-chloro-5-fluorophenoxy)phenyl]methanol has a molecular weight of 331.57 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-bromo-4-chloro-5-fluorophenoxy)phenyl]methanol is sourced from PubChem (CID 114042695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).