1-bromo-3-fluoro-5-(2-phenoxyethoxymethyl)benzene

C15H14BrFO2 — CID 79701276

IUPAC1-bromo-3-fluoro-5-(2-phenoxyethoxymethyl)benzene
SMILESFc1cc(Br)cc(COCCOc2ccccc2)c1
InChIInChI=1S/C15H14BrFO2/c16-13-8-12(9-14(17)10-13)11-18-6-7-19-15-4-2-1-3-5-15/h1-5,8-10H,6-7,11H2
InChIKeyXZBSAZVJQQKGRM-UHFFFAOYSA-N
MW325.18 g/mol
LogP4.18
Rot. Bonds6

About 1-bromo-3-fluoro-5-(2-phenoxyethoxymethyl)benzene

1-bromo-3-fluoro-5-(2-phenoxyethoxymethyl)benzene (PubChem CID 79701276) has the molecular formula C15H14BrFO2 and a molecular weight of 325.18 g/mol. Its IUPAC name is 1-bromo-3-fluoro-5-(2-phenoxyethoxymethyl)benzene.

Molecular Properties

Compound Name1-bromo-3-fluoro-5-(2-phenoxyethoxymethyl)benzene
PubChem CID79701276
Molecular FormulaC15H14BrFO2
Molecular Weight325.18 g/mol
Exact Mass324.02
IUPAC Name1-bromo-3-fluoro-5-(2-phenoxyethoxymethyl)benzene
SMILESFc1cc(Br)cc(COCCOc2ccccc2)c1
InChIInChI=1S/C15H14BrFO2/c16-13-8-12(9-14(17)10-13)11-18-6-7-19-15-4-2-1-3-5-15/h1-5,8-10H,6-7,11H2
InChIKeyXZBSAZVJQQKGRM-UHFFFAOYSA-N
XLogP4.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.18
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-bromo-5-fluorophenyl)methyl]-3-phenoxypropan-1-amine
CID 79710112
1,4-bis(2-phenoxyethoxymethyl)benzene
CID 19801574
1-bromo-3-fluoro-5-(propoxymethyl)benzene
CID 79701687
1-bromo-3-fluoro-5-[(4-fluorophenoxy)methyl]benzene
CID 79702949
1-fluoro-3-(2-phenylmethoxyethoxy)benzene
CID 71345378
1-bromo-3-[(3-chlorophenoxy)methyl]-5-fluorobenzene
CID 79701274
1-bromo-3-fluoro-5-(octoxymethyl)benzene
CID 79702505
1-bromo-3-fluoro-5-(heptoxymethyl)benzene
CID 79701684
4-[(3-bromo-5-fluorophenyl)methoxy]-N-methylaniline
CID 79708992
2-fluoro-5-(2-phenoxyethoxymethyl)benzoic acid
CID 107881120
4-[2-[(3-bromophenyl)methoxy]ethoxy]aniline
CID 82827978
1-bromo-3-fluoro-5-(1-phenylethoxymethyl)benzene
CID 79702060

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-fluoro-5-(2-phenoxyethoxymethyl)benzene?
The IUPAC name of 1-bromo-3-fluoro-5-(2-phenoxyethoxymethyl)benzene (CID 79701276) is 1-bromo-3-fluoro-5-(2-phenoxyethoxymethyl)benzene.
What is the SMILES notation for 1-bromo-3-fluoro-5-(2-phenoxyethoxymethyl)benzene?
The canonical SMILES for 1-bromo-3-fluoro-5-(2-phenoxyethoxymethyl)benzene is Fc1cc(Br)cc(COCCOc2ccccc2)c1.
What is the InChIKey of 1-bromo-3-fluoro-5-(2-phenoxyethoxymethyl)benzene?
The InChIKey is XZBSAZVJQQKGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFO2/c16-13-8-12(9-14(17)10-13)11-18-6-7-19-15-4-2-1-3-5-15/h1-5,8-10H,6-7,11H2.
What are the key properties of 1-bromo-3-fluoro-5-(2-phenoxyethoxymethyl)benzene?
1-bromo-3-fluoro-5-(2-phenoxyethoxymethyl)benzene has a molecular weight of 325.18 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-fluoro-5-(2-phenoxyethoxymethyl)benzene is sourced from PubChem (CID 79701276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).