2-bromo-4-(3-fluorophenyl)-1-(2-methoxyethoxymethoxy)benzene

C16H16BrFO3 — CID 86718605

IUPAC2-bromo-4-(3-fluorophenyl)-1-(2-methoxyethoxymethoxy)benzene
SMILESCOCCOCOc1ccc(-c2cccc(F)c2)cc1Br
InChIInChI=1S/C16H16BrFO3/c1-19-7-8-20-11-21-16-6-5-13(10-15(16)17)12-3-2-4-14(18)9-12/h2-6,9-10H,7-8,11H2,1H3
InChIKeyOJYSIQOEEVWINB-UHFFFAOYSA-N
MW355.20 g/mol
LogP4.25
Rot. Bonds7

About 2-bromo-4-(3-fluorophenyl)-1-(2-methoxyethoxymethoxy)benzene

2-bromo-4-(3-fluorophenyl)-1-(2-methoxyethoxymethoxy)benzene (PubChem CID 86718605) has the molecular formula C16H16BrFO3 and a molecular weight of 355.20 g/mol. Its IUPAC name is 2-bromo-4-(3-fluorophenyl)-1-(2-methoxyethoxymethoxy)benzene.

Molecular Properties

Compound Name2-bromo-4-(3-fluorophenyl)-1-(2-methoxyethoxymethoxy)benzene
PubChem CID86718605
Molecular FormulaC16H16BrFO3
Molecular Weight355.20 g/mol
Exact Mass354.03
IUPAC Name2-bromo-4-(3-fluorophenyl)-1-(2-methoxyethoxymethoxy)benzene
SMILESCOCCOCOc1ccc(-c2cccc(F)c2)cc1Br
InChIInChI=1S/C16H16BrFO3/c1-19-7-8-20-11-21-16-6-5-13(10-15(16)17)12-3-2-4-14(18)9-12/h2-6,9-10H,7-8,11H2,1H3
InChIKeyOJYSIQOEEVWINB-UHFFFAOYSA-N
XLogP4.25
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.20
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-2-(2-methoxyethoxymethoxy)benzene
CID 16655302
2-(2-bromo-4-phenylphenoxy)-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 17340502
[3-ethoxy-4-(4-fluorophenyl)-5-(2-methoxyethoxymethoxy)phenyl]methanol
CID 118898131
2-(2-bromo-4-phenylphenoxy)-N-[3-(2-methoxyethoxy)phenyl]acetamide
CID 17169893
1-fluoro-3-[4-(methoxymethyl)phenyl]benzene
CID 143262024
3-bromo-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzonitrile
CID 104561498
1,2-dimethoxy-3-(2-methoxyethoxymethoxy)benzene
CID 54272743
[5-(3-fluorophenyl)-2-methoxyphenyl]methanamine
CID 54911914
4-(2-bromo-4-fluorophenoxy)butan-2-one
CID 60666649
2-bromo-1-[3-(2-methoxyethoxy)propoxy]-4-methylbenzene
CID 103409894
6-bromo-1-[6-bromo-2-(2-methoxyethoxymethoxy)naphthalen-1-yl]-2-(2-methoxyethoxymethoxy)naphthalene
CID 139199177
1-(2-methoxyethoxymethoxy)-4-methyl-2-(trifluoromethyl)benzene
CID 91496733

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(3-fluorophenyl)-1-(2-methoxyethoxymethoxy)benzene?
The IUPAC name of 2-bromo-4-(3-fluorophenyl)-1-(2-methoxyethoxymethoxy)benzene (CID 86718605) is 2-bromo-4-(3-fluorophenyl)-1-(2-methoxyethoxymethoxy)benzene.
What is the SMILES notation for 2-bromo-4-(3-fluorophenyl)-1-(2-methoxyethoxymethoxy)benzene?
The canonical SMILES for 2-bromo-4-(3-fluorophenyl)-1-(2-methoxyethoxymethoxy)benzene is COCCOCOc1ccc(-c2cccc(F)c2)cc1Br.
What is the InChIKey of 2-bromo-4-(3-fluorophenyl)-1-(2-methoxyethoxymethoxy)benzene?
The InChIKey is OJYSIQOEEVWINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFO3/c1-19-7-8-20-11-21-16-6-5-13(10-15(16)17)12-3-2-4-14(18)9-12/h2-6,9-10H,7-8,11H2,1H3.
What are the key properties of 2-bromo-4-(3-fluorophenyl)-1-(2-methoxyethoxymethoxy)benzene?
2-bromo-4-(3-fluorophenyl)-1-(2-methoxyethoxymethoxy)benzene has a molecular weight of 355.20 g/mol, XLogP of 4.25, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(3-fluorophenyl)-1-(2-methoxyethoxymethoxy)benzene is sourced from PubChem (CID 86718605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).