4-bromo-5-fluoro-2-methoxyphenol;formaldehyde

C8H8BrFO3 — CID 174569223

IUPAC4-bromo-5-fluoro-2-methoxyphenol;formaldehyde
SMILESC=O.COc1cc(Br)c(F)cc1O
InChIInChI=1S/C7H6BrFO2.CH2O/c1-11-7-2-4(8)5(9)3-6(7)10;1-2/h2-3,10H,1H3;1H2
InChIKeyLVMBGQXHLCESIG-UHFFFAOYSA-N
MW251.05 g/mol
LogP2.12
Rot. Bonds1

About 4-bromo-5-fluoro-2-methoxyphenol;formaldehyde

4-bromo-5-fluoro-2-methoxyphenol;formaldehyde (PubChem CID 174569223) has the molecular formula C8H8BrFO3 and a molecular weight of 251.05 g/mol. Its IUPAC name is 4-bromo-5-fluoro-2-methoxyphenol;formaldehyde.

Molecular Properties

Compound Name4-bromo-5-fluoro-2-methoxyphenol;formaldehyde
PubChem CID174569223
Molecular FormulaC8H8BrFO3
Molecular Weight251.05 g/mol
Exact Mass249.96
IUPAC Name4-bromo-5-fluoro-2-methoxyphenol;formaldehyde
SMILESC=O.COc1cc(Br)c(F)cc1O
InChIInChI=1S/C7H6BrFO2.CH2O/c1-11-7-2-4(8)5(9)3-6(7)10;1-2/h2-3,10H,1H3;1H2
InChIKeyLVMBGQXHLCESIG-UHFFFAOYSA-N
XLogP2.12
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.05
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 68809379
4-bromo-2-ethoxy-5-fluorophenol
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4-(bromomethyl)-5-fluoro-2-methoxyphenol
CID 130756651
2-(4-bromo-5-fluoro-2-methoxyphenyl)-2-methylpropanenitrile
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CID 84806885
4-bromo-5-(hydroxymethyl)-2-methoxyphenol
CID 637415
sodium;4-bromo-5-fluoro-2-methoxyaniline;hydride
CID 175500910
2-(5-bromo-4-fluoro-2-hydroxyphenyl)acetic acid
CID 83900317
1-(4-bromo-5-fluoro-2-methoxyphenyl)cyclopropan-1-ol
CID 84806667
1-bromo-4-ethoxy-2-fluoro-5-methoxybenzene
CID 69098703
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CID 162389403

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-fluoro-2-methoxyphenol;formaldehyde?
The IUPAC name of 4-bromo-5-fluoro-2-methoxyphenol;formaldehyde (CID 174569223) is 4-bromo-5-fluoro-2-methoxyphenol;formaldehyde.
What is the SMILES notation for 4-bromo-5-fluoro-2-methoxyphenol;formaldehyde?
The canonical SMILES for 4-bromo-5-fluoro-2-methoxyphenol;formaldehyde is C=O.COc1cc(Br)c(F)cc1O.
What is the InChIKey of 4-bromo-5-fluoro-2-methoxyphenol;formaldehyde?
The InChIKey is LVMBGQXHLCESIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrFO2.CH2O/c1-11-7-2-4(8)5(9)3-6(7)10;1-2/h2-3,10H,1H3;1H2.
What are the key properties of 4-bromo-5-fluoro-2-methoxyphenol;formaldehyde?
4-bromo-5-fluoro-2-methoxyphenol;formaldehyde has a molecular weight of 251.05 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-fluoro-2-methoxyphenol;formaldehyde is sourced from PubChem (CID 174569223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).