(3-bromo-4-fluoro-5-methoxyphenyl)methanol

C8H8BrFO2 — CID 84698241

IUPAC(3-bromo-4-fluoro-5-methoxyphenyl)methanol
SMILESCOc1cc(CO)cc(Br)c1F
InChIInChI=1S/C8H8BrFO2/c1-12-7-3-5(4-11)2-6(9)8(7)10/h2-3,11H,4H2,1H3
InChIKeyGGIUQKUSQYAHKY-UHFFFAOYSA-N
MW235.05 g/mol
LogP2.09
Rot. Bonds2

About (3-bromo-4-fluoro-5-methoxyphenyl)methanol

(3-bromo-4-fluoro-5-methoxyphenyl)methanol (PubChem CID 84698241) has the molecular formula C8H8BrFO2 and a molecular weight of 235.05 g/mol. Its IUPAC name is (3-bromo-4-fluoro-5-methoxyphenyl)methanol.

Molecular Properties

Compound Name(3-bromo-4-fluoro-5-methoxyphenyl)methanol
PubChem CID84698241
Molecular FormulaC8H8BrFO2
Molecular Weight235.05 g/mol
Exact Mass233.97
IUPAC Name(3-bromo-4-fluoro-5-methoxyphenyl)methanol
SMILESCOc1cc(CO)cc(Br)c1F
InChIInChI=1S/C8H8BrFO2/c1-12-7-3-5(4-11)2-6(9)8(7)10/h2-3,11H,4H2,1H3
InChIKeyGGIUQKUSQYAHKY-UHFFFAOYSA-N
XLogP2.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.05
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-fluoro-3-methoxy-5-(trifluoromethyl)phenyl]methanol
CID 171014426
1-bromo-2-fluoro-5-(isocyanatomethyl)-3-methoxybenzene
CID 117403766
[3-bromo-5-methoxy-4-(oxan-4-yloxy)phenyl]methanol
CID 63936239
[3-bromo-4-[2-(dimethylamino)ethoxy]-5-methoxyphenyl]methanol
CID 43622685
methyl 2-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]acetate
CID 43622677
[3-bromo-4-[(3-chloro-4-fluorophenyl)methoxy]-5-methoxyphenyl]methanol
CID 103038353
(3-bromo-2-fluoro-6-methoxy-5-methylphenyl)methanol
CID 84706876
4-bromo-2-fluoro-3-(hydroxymethyl)-6-methoxyphenol
CID 117380249
[3-bromo-5-methoxy-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanol
CID 112590025
3-[(3-bromo-4-fluoro-5-methoxyphenyl)methyl]piperidine
CID 117486667
5-(chloromethyl)-1,2-difluoro-3-methoxybenzene
CID 130938766
[4-(hydroxymethyl)-2,6-dimethoxyphenyl]boronic acid
CID 54470355

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-fluoro-5-methoxyphenyl)methanol?
The IUPAC name of (3-bromo-4-fluoro-5-methoxyphenyl)methanol (CID 84698241) is (3-bromo-4-fluoro-5-methoxyphenyl)methanol.
What is the SMILES notation for (3-bromo-4-fluoro-5-methoxyphenyl)methanol?
The canonical SMILES for (3-bromo-4-fluoro-5-methoxyphenyl)methanol is COc1cc(CO)cc(Br)c1F.
What is the InChIKey of (3-bromo-4-fluoro-5-methoxyphenyl)methanol?
The InChIKey is GGIUQKUSQYAHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrFO2/c1-12-7-3-5(4-11)2-6(9)8(7)10/h2-3,11H,4H2,1H3.
What are the key properties of (3-bromo-4-fluoro-5-methoxyphenyl)methanol?
(3-bromo-4-fluoro-5-methoxyphenyl)methanol has a molecular weight of 235.05 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-fluoro-5-methoxyphenyl)methanol is sourced from PubChem (CID 84698241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).