[2-(2-bromo-4-fluorophenoxy)-5-chlorophenyl]methanol

C13H9BrClFO2 — CID 114845999

IUPAC[2-(2-bromo-4-fluorophenoxy)-5-chlorophenyl]methanol
SMILESOCc1cc(Cl)ccc1Oc1ccc(F)cc1Br
InChIInChI=1S/C13H9BrClFO2/c14-11-6-10(16)2-4-13(11)18-12-3-1-9(15)5-8(12)7-17/h1-6,17H,7H2
InChIKeyBNGQPBWOHWDHTB-UHFFFAOYSA-N
MW331.57 g/mol
LogP4.53
Rot. Bonds3

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

[2-(2-bromo-4-fluorophenoxy)-5-chlorophenyl]methanol (PubChem CID 114845999) has the molecular formula C13H9BrClFO2 and a molecular weight of 331.57 g/mol. Its IUPAC name is [2-(2-bromo-4-fluorophenoxy)-5-chlorophenyl]methanol.

Molecular Properties

Compound Name[2-(2-bromo-4-fluorophenoxy)-5-chlorophenyl]methanol
PubChem CID114845999
Molecular FormulaC13H9BrClFO2
Molecular Weight331.57 g/mol
Exact Mass329.95
IUPAC Name[2-(2-bromo-4-fluorophenoxy)-5-chlorophenyl]methanol
SMILESOCc1cc(Cl)ccc1Oc1ccc(F)cc1Br
InChIInChI=1S/C13H9BrClFO2/c14-11-6-10(16)2-4-13(11)18-12-3-1-9(15)5-8(12)7-17/h1-6,17H,7H2
InChIKeyBNGQPBWOHWDHTB-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

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Related Compounds

[2-(2-bromo-4-fluorophenoxy)-5-fluorophenyl]methanol
CID 43313412
1-[2-(2-bromo-4-fluorophenoxy)-5-chlorophenyl]propan-2-amine
CID 114862732
[2-(4-bromo-2,5-dichlorophenoxy)-5-chlorophenyl]methanol
CID 107659046
[3-bromo-4-(2-bromo-4-chlorophenoxy)phenyl]methanol
CID 114062434
[2-(4-bromo-5-fluoro-2-nitrophenoxy)-5-chlorophenyl]methanol
CID 103483384
2,4-dibromo-1-[4-chloro-2-(chloromethyl)phenoxy]benzene
CID 114847129
[2-(5-bromo-2,3-difluorophenoxy)-5-fluorophenyl]methanol
CID 107100165
[5-chloro-2-(2-methoxyphenoxy)phenyl]methanol
CID 114846046
[2-(2-bromo-4-chloro-5-fluorophenoxy)phenyl]methanol
CID 114042695
[2-(2,3-dichlorophenoxy)-5-fluorophenyl]methanol
CID 43313342
[2-(4-bromo-2-propan-2-ylphenoxy)-5-chlorophenyl]methanol
CID 114846232
2-bromo-1-[4-bromo-2-(bromomethyl)phenoxy]-4-fluorobenzene
CID 114061645

Frequently Asked Questions

What is the IUPAC name of [2-(2-bromo-4-fluorophenoxy)-5-chlorophenyl]methanol?
The IUPAC name of [2-(2-bromo-4-fluorophenoxy)-5-chlorophenyl]methanol (CID 114845999) is [2-(2-bromo-4-fluorophenoxy)-5-chlorophenyl]methanol.
What is the SMILES notation for [2-(2-bromo-4-fluorophenoxy)-5-chlorophenyl]methanol?
The canonical SMILES for [2-(2-bromo-4-fluorophenoxy)-5-chlorophenyl]methanol is OCc1cc(Cl)ccc1Oc1ccc(F)cc1Br.
What is the InChIKey of [2-(2-bromo-4-fluorophenoxy)-5-chlorophenyl]methanol?
The InChIKey is BNGQPBWOHWDHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClFO2/c14-11-6-10(16)2-4-13(11)18-12-3-1-9(15)5-8(12)7-17/h1-6,17H,7H2.
What are the key properties of [2-(2-bromo-4-fluorophenoxy)-5-chlorophenyl]methanol?
[2-(2-bromo-4-fluorophenoxy)-5-chlorophenyl]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-fluorophenoxy)-5-chlorophenyl]methanol is sourced from PubChem (CID 114845999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).