2-bromo-4-fluoro-5-(methoxymethoxy)phenol;4-fluoro-3-(methoxymethoxy)phenol

C16H17BrF2O6 — CID 159809737

IUPAC2-bromo-4-fluoro-5-(methoxymethoxy)phenol;4-fluoro-3-(methoxymethoxy)phenol
SMILESCOCOc1cc(O)c(Br)cc1F.COCOc1cc(O)ccc1F
InChIInChI=1S/C8H8BrFO3.C8H9FO3/c1-12-4-13-8-3-7(11)5(9)2-6(8)10;1-11-5-12-8-4-6(10)2-3-7(8)9/h2-3,11H,4H2,1H3;2-4,10H,5H2,1H3
InChIKeyNKWGWWLLNUZCBK-UHFFFAOYSA-N
MW423.21 g/mol
LogP3.79
Rot. Bonds6

About 2-bromo-4-fluoro-5-(methoxymethoxy)phenol;4-fluoro-3-(methoxymethoxy)phenol

2-bromo-4-fluoro-5-(methoxymethoxy)phenol;4-fluoro-3-(methoxymethoxy)phenol (PubChem CID 159809737) has the molecular formula C16H17BrF2O6 and a molecular weight of 423.21 g/mol. Its IUPAC name is 2-bromo-4-fluoro-5-(methoxymethoxy)phenol;4-fluoro-3-(methoxymethoxy)phenol.

Molecular Properties

Compound Name2-bromo-4-fluoro-5-(methoxymethoxy)phenol;4-fluoro-3-(methoxymethoxy)phenol
PubChem CID159809737
Molecular FormulaC16H17BrF2O6
Molecular Weight423.21 g/mol
Exact Mass422.02
IUPAC Name2-bromo-4-fluoro-5-(methoxymethoxy)phenol;4-fluoro-3-(methoxymethoxy)phenol
SMILESCOCOc1cc(O)c(Br)cc1F.COCOc1cc(O)ccc1F
InChIInChI=1S/C8H8BrFO3.C8H9FO3/c1-12-4-13-8-3-7(11)5(9)2-6(8)10;1-11-5-12-8-4-6(10)2-3-7(8)9/h2-3,11H,4H2,1H3;2-4,10H,5H2,1H3
InChIKeyNKWGWWLLNUZCBK-UHFFFAOYSA-N
XLogP3.79
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.21
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-bromobenzene-1,3-diol;1-bromo-2,4-bis(methoxymethoxy)benzene
CID 157301717
[2-bromo-5-fluoro-4-(methoxymethoxy)phenyl]methanol
CID 167103502
4-[[2-bromo-4-fluoro-5-(methoxymethoxy)phenoxy]methyl]pyridine
CID 66653354
3-butoxy-4-fluorophenol
CID 174949463
2-bromo-1-fluoro-3-(methoxymethoxy)benzene;2-bromo-3-fluorophenol
CID 167679834
2-bromo-1-(methoxymethoxy)-4-methylbenzene;2-bromo-4-methylphenol
CID 158132075
4-fluoro-3-prop-2-enoxyphenol
CID 11159544
2-bromo-1-fluoro-4-(methoxymethoxy)benzene
CID 83236358
4-fluoro-3-(methoxymethoxy)benzaldehyde
CID 23143885
2-bromo-1-(methoxymethoxy)-4-methylbenzene;2-bromo-4-methylphenol;dimethoxymethane
CID 158942967
1,4-difluoro-2-(methoxymethoxy)-5-methylbenzene
CID 58719002
[2,4-difluoro-5-(methoxymethoxy)phenyl]boronic acid
CID 164891744

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-5-(methoxymethoxy)phenol;4-fluoro-3-(methoxymethoxy)phenol?
The IUPAC name of 2-bromo-4-fluoro-5-(methoxymethoxy)phenol;4-fluoro-3-(methoxymethoxy)phenol (CID 159809737) is 2-bromo-4-fluoro-5-(methoxymethoxy)phenol;4-fluoro-3-(methoxymethoxy)phenol.
What is the SMILES notation for 2-bromo-4-fluoro-5-(methoxymethoxy)phenol;4-fluoro-3-(methoxymethoxy)phenol?
The canonical SMILES for 2-bromo-4-fluoro-5-(methoxymethoxy)phenol;4-fluoro-3-(methoxymethoxy)phenol is COCOc1cc(O)c(Br)cc1F.COCOc1cc(O)ccc1F.
What is the InChIKey of 2-bromo-4-fluoro-5-(methoxymethoxy)phenol;4-fluoro-3-(methoxymethoxy)phenol?
The InChIKey is NKWGWWLLNUZCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrFO3.C8H9FO3/c1-12-4-13-8-3-7(11)5(9)2-6(8)10;1-11-5-12-8-4-6(10)2-3-7(8)9/h2-3,11H,4H2,1H3;2-4,10H,5H2,1H3.
What are the key properties of 2-bromo-4-fluoro-5-(methoxymethoxy)phenol;4-fluoro-3-(methoxymethoxy)phenol?
2-bromo-4-fluoro-5-(methoxymethoxy)phenol;4-fluoro-3-(methoxymethoxy)phenol has a molecular weight of 423.21 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-5-(methoxymethoxy)phenol;4-fluoro-3-(methoxymethoxy)phenol is sourced from PubChem (CID 159809737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).