1-bromo-3-fluoro-5-(1-phenylethoxymethyl)benzene

C15H14BrFO — CID 79702060

IUPAC1-bromo-3-fluoro-5-(1-phenylethoxymethyl)benzene
SMILESCC(OCc1cc(F)cc(Br)c1)c1ccccc1
InChIInChI=1S/C15H14BrFO/c1-11(13-5-3-2-4-6-13)18-10-12-7-14(16)9-15(17)8-12/h2-9,11H,10H2,1H3
InChIKeyPHVKKWLRVHAIRV-UHFFFAOYSA-N
MW309.18 g/mol
LogP4.87
Rot. Bonds4

About 1-bromo-3-fluoro-5-(1-phenylethoxymethyl)benzene

1-bromo-3-fluoro-5-(1-phenylethoxymethyl)benzene (PubChem CID 79702060) has the molecular formula C15H14BrFO and a molecular weight of 309.18 g/mol. Its IUPAC name is 1-bromo-3-fluoro-5-(1-phenylethoxymethyl)benzene.

Molecular Properties

Compound Name1-bromo-3-fluoro-5-(1-phenylethoxymethyl)benzene
PubChem CID79702060
Molecular FormulaC15H14BrFO
Molecular Weight309.18 g/mol
Exact Mass308.02
IUPAC Name1-bromo-3-fluoro-5-(1-phenylethoxymethyl)benzene
SMILESCC(OCc1cc(F)cc(Br)c1)c1ccccc1
InChIInChI=1S/C15H14BrFO/c1-11(13-5-3-2-4-6-13)18-10-12-7-14(16)9-15(17)8-12/h2-9,11H,10H2,1H3
InChIKeyPHVKKWLRVHAIRV-UHFFFAOYSA-N
XLogP4.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.18
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-2-fluoro-1-(1-phenylmethoxyethyl)benzene
CID 139652718
3-(3-bromo-5-fluorophenyl)-1-methoxy-N-methyl-1-phenylpropan-2-amine
CID 116772571
3-(3-bromo-5-fluorophenyl)-N,2-dimethyl-1-phenylpropan-1-amine
CID 104845358
N-[(3-bromo-5-fluorophenyl)methyl]-3-phenylbutan-1-amine
CID 79710629
1-[2-[(3-bromo-5-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 79709715
1-bromo-3-fluoro-5-(2-phenoxyethoxymethyl)benzene
CID 79701276
N-[(3-bromo-5-fluorophenyl)methyl]-1-phenylpropan-2-amine
CID 79710487
1-methyl-4-(1-phenylmethoxyethyl)benzene
CID 135034119
1-[2-[(3-bromo-5-fluorophenyl)methoxy]-4-fluorophenyl]-N-methylethanamine
CID 79698106
1-[4-[(3-bromo-5-fluorophenyl)methoxy]phenyl]-N-ethylethanamine
CID 79697854
2-(3-bromo-5-fluorophenyl)-1-(2-tert-butylphenyl)ethanol
CID 115822740
1-bromo-3-fluoro-5-(propoxymethyl)benzene
CID 79701687

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-fluoro-5-(1-phenylethoxymethyl)benzene?
The IUPAC name of 1-bromo-3-fluoro-5-(1-phenylethoxymethyl)benzene (CID 79702060) is 1-bromo-3-fluoro-5-(1-phenylethoxymethyl)benzene.
What is the SMILES notation for 1-bromo-3-fluoro-5-(1-phenylethoxymethyl)benzene?
The canonical SMILES for 1-bromo-3-fluoro-5-(1-phenylethoxymethyl)benzene is CC(OCc1cc(F)cc(Br)c1)c1ccccc1.
What is the InChIKey of 1-bromo-3-fluoro-5-(1-phenylethoxymethyl)benzene?
The InChIKey is PHVKKWLRVHAIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFO/c1-11(13-5-3-2-4-6-13)18-10-12-7-14(16)9-15(17)8-12/h2-9,11H,10H2,1H3.
What are the key properties of 1-bromo-3-fluoro-5-(1-phenylethoxymethyl)benzene?
1-bromo-3-fluoro-5-(1-phenylethoxymethyl)benzene has a molecular weight of 309.18 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-fluoro-5-(1-phenylethoxymethyl)benzene is sourced from PubChem (CID 79702060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).