[2-(5-bromo-2-methylphenoxy)-5-fluorophenyl]methanol

C14H12BrFO2 — CID 107284920

IUPAC[2-(5-bromo-2-methylphenoxy)-5-fluorophenyl]methanol
SMILESCc1ccc(Br)cc1Oc1ccc(F)cc1CO
InChIInChI=1S/C14H12BrFO2/c1-9-2-3-11(15)7-14(9)18-13-5-4-12(16)6-10(13)8-17/h2-7,17H,8H2,1H3
InChIKeySGXGAOFATBVULW-UHFFFAOYSA-N
MW311.15 g/mol
LogP4.18
Rot. Bonds3

About [2-(5-bromo-2-methylphenoxy)-5-fluorophenyl]methanol

[2-(5-bromo-2-methylphenoxy)-5-fluorophenyl]methanol (PubChem CID 107284920) has the molecular formula C14H12BrFO2 and a molecular weight of 311.15 g/mol. Its IUPAC name is [2-(5-bromo-2-methylphenoxy)-5-fluorophenyl]methanol.

Molecular Properties

Compound Name[2-(5-bromo-2-methylphenoxy)-5-fluorophenyl]methanol
PubChem CID107284920
Molecular FormulaC14H12BrFO2
Molecular Weight311.15 g/mol
Exact Mass310.00
IUPAC Name[2-(5-bromo-2-methylphenoxy)-5-fluorophenyl]methanol
SMILESCc1ccc(Br)cc1Oc1ccc(F)cc1CO
InChIInChI=1S/C14H12BrFO2/c1-9-2-3-11(15)7-14(9)18-13-5-4-12(16)6-10(13)8-17/h2-7,17H,8H2,1H3
InChIKeySGXGAOFATBVULW-UHFFFAOYSA-N
XLogP4.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.15
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2-bromo-4-fluorophenoxy)-5-fluorophenyl]methanol
CID 43313412
[2-(5-bromo-2,3-difluorophenoxy)-5-fluorophenyl]methanol
CID 107100165
[2-(2-chloro-4-methylphenoxy)-5-fluorophenyl]methanol
CID 62673083
[2-(4-tert-butyl-2-methylphenoxy)-5-fluorophenyl]methanol
CID 43313481
2-(chloromethyl)-4-fluoro-1-(5-fluoro-2-methylphenoxy)benzene
CID 102989965
5-bromo-2-(5-fluoro-2-methylphenoxy)aniline
CID 102980259
[2-bromo-4-(5-fluoro-2-methylphenoxy)phenyl]methanol
CID 114060424
5-bromo-2-(5-fluoro-2-methylphenoxy)benzenecarbothioamide
CID 102981778
[4-(5-bromo-2-methylphenoxy)-6-methyl-3-pyridinyl]methanol
CID 107285369
4-bromo-2-(5-fluoro-2-methylphenoxy)benzoic acid
CID 102987538
N-[[2-(4-bromo-2-methylphenoxy)-5-fluorophenyl]methyl]propan-1-amine
CID 63552404
2-[5-fluoro-2-(5-fluoro-2-methylphenoxy)phenyl]ethanamine
CID 102990405

Frequently Asked Questions

What is the IUPAC name of [2-(5-bromo-2-methylphenoxy)-5-fluorophenyl]methanol?
The IUPAC name of [2-(5-bromo-2-methylphenoxy)-5-fluorophenyl]methanol (CID 107284920) is [2-(5-bromo-2-methylphenoxy)-5-fluorophenyl]methanol.
What is the SMILES notation for [2-(5-bromo-2-methylphenoxy)-5-fluorophenyl]methanol?
The canonical SMILES for [2-(5-bromo-2-methylphenoxy)-5-fluorophenyl]methanol is Cc1ccc(Br)cc1Oc1ccc(F)cc1CO.
What is the InChIKey of [2-(5-bromo-2-methylphenoxy)-5-fluorophenyl]methanol?
The InChIKey is SGXGAOFATBVULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFO2/c1-9-2-3-11(15)7-14(9)18-13-5-4-12(16)6-10(13)8-17/h2-7,17H,8H2,1H3.
What are the key properties of [2-(5-bromo-2-methylphenoxy)-5-fluorophenyl]methanol?
[2-(5-bromo-2-methylphenoxy)-5-fluorophenyl]methanol has a molecular weight of 311.15 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-bromo-2-methylphenoxy)-5-fluorophenyl]methanol is sourced from PubChem (CID 107284920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).