4-(bromomethyl)-5-fluoro-2-methoxyphenol

C8H8BrFO2 — CID 130756651

IUPAC4-(bromomethyl)-5-fluoro-2-methoxyphenol
SMILESCOc1cc(CBr)c(F)cc1O
InChIInChI=1S/C8H8BrFO2/c1-12-8-2-5(4-9)6(10)3-7(8)11/h2-3,11H,4H2,1H3
InChIKeySAUVRHAQFIQTPC-UHFFFAOYSA-N
MW235.05 g/mol
LogP2.43
Rot. Bonds2

About 4-(bromomethyl)-5-fluoro-2-methoxyphenol

4-(bromomethyl)-5-fluoro-2-methoxyphenol (PubChem CID 130756651) has the molecular formula C8H8BrFO2 and a molecular weight of 235.05 g/mol. Its IUPAC name is 4-(bromomethyl)-5-fluoro-2-methoxyphenol.

Molecular Properties

Compound Name4-(bromomethyl)-5-fluoro-2-methoxyphenol
PubChem CID130756651
Molecular FormulaC8H8BrFO2
Molecular Weight235.05 g/mol
Exact Mass233.97
IUPAC Name4-(bromomethyl)-5-fluoro-2-methoxyphenol
SMILESCOc1cc(CBr)c(F)cc1O
InChIInChI=1S/C8H8BrFO2/c1-12-8-2-5(4-9)6(10)3-7(8)11/h2-3,11H,4H2,1H3
InChIKeySAUVRHAQFIQTPC-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[4-(bromomethyl)-2-fluoro-5-methoxyphenyl]acetonitrile
CID 130132944
propyl 2-(2-fluoro-4-hydroxy-5-methoxyphenyl)acetate
CID 141376208
5-(aminooxymethyl)-4-fluoro-2-methoxyphenol
CID 117280629
5-fluoro-2-(2-hydroxypropyl)-4-methoxyphenol
CID 117289277
5-fluoro-2-methoxy-4-(piperidin-4-ylmethyl)phenol
CID 84799660
4-bromo-5-fluoro-2-methoxyphenol;formaldehyde
CID 174569223
4-[(1R)-1-amino-2-hydroxyethyl]-5-fluoro-2-methoxyphenol
CID 66514027
4-(1,2-diaminoethyl)-5-fluoro-2-methoxyphenol
CID 77131047
methyl 2-[2-(bromomethyl)-5-fluoro-4-methoxyphenyl]acetate
CID 171017348
1-(bromomethyl)-2,5-difluoro-3-methoxybenzene
CID 130936683
5-bromo-4-(2-hydroxypropyl)-2-methoxyphenol
CID 117406460
4-methoxy-6-prop-2-enylbenzene-1,3-diol
CID 15775117

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-5-fluoro-2-methoxyphenol?
The IUPAC name of 4-(bromomethyl)-5-fluoro-2-methoxyphenol (CID 130756651) is 4-(bromomethyl)-5-fluoro-2-methoxyphenol.
What is the SMILES notation for 4-(bromomethyl)-5-fluoro-2-methoxyphenol?
The canonical SMILES for 4-(bromomethyl)-5-fluoro-2-methoxyphenol is COc1cc(CBr)c(F)cc1O.
What is the InChIKey of 4-(bromomethyl)-5-fluoro-2-methoxyphenol?
The InChIKey is SAUVRHAQFIQTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrFO2/c1-12-8-2-5(4-9)6(10)3-7(8)11/h2-3,11H,4H2,1H3.
What are the key properties of 4-(bromomethyl)-5-fluoro-2-methoxyphenol?
4-(bromomethyl)-5-fluoro-2-methoxyphenol has a molecular weight of 235.05 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-5-fluoro-2-methoxyphenol is sourced from PubChem (CID 130756651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).