4-bromo-2-fluoro-1-(1-phenylmethoxyethyl)benzene

C15H14BrFO — CID 139652718

IUPAC4-bromo-2-fluoro-1-(1-phenylmethoxyethyl)benzene
SMILESCC(OCc1ccccc1)c1ccc(Br)cc1F
InChIInChI=1S/C15H14BrFO/c1-11(14-8-7-13(16)9-15(14)17)18-10-12-5-3-2-4-6-12/h2-9,11H,10H2,1H3
InChIKeyNRCCVGBOLKOJHT-UHFFFAOYSA-N
MW309.18 g/mol
LogP4.87
Rot. Bonds4

About 4-bromo-2-fluoro-1-(1-phenylmethoxyethyl)benzene

4-bromo-2-fluoro-1-(1-phenylmethoxyethyl)benzene (PubChem CID 139652718) has the molecular formula C15H14BrFO and a molecular weight of 309.18 g/mol. Its IUPAC name is 4-bromo-2-fluoro-1-(1-phenylmethoxyethyl)benzene.

Molecular Properties

Compound Name4-bromo-2-fluoro-1-(1-phenylmethoxyethyl)benzene
PubChem CID139652718
Molecular FormulaC15H14BrFO
Molecular Weight309.18 g/mol
Exact Mass308.02
IUPAC Name4-bromo-2-fluoro-1-(1-phenylmethoxyethyl)benzene
SMILESCC(OCc1ccccc1)c1ccc(Br)cc1F
InChIInChI=1S/C15H14BrFO/c1-11(14-8-7-13(16)9-15(14)17)18-10-12-5-3-2-4-6-12/h2-9,11H,10H2,1H3
InChIKeyNRCCVGBOLKOJHT-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

1-bromo-3-fluoro-5-(1-phenylethoxymethyl)benzene
CID 79702060
N-[1-(4-bromo-2-fluorophenyl)ethyl]-4-phenylbutan-2-amine
CID 82963507
4-bromo-2-fluoro-1-propan-2-ylbenzene
CID 21051092
N-benzyl-1-(4-bromo-2-fluorophenyl)-N-methylethane-1,2-diamine
CID 43364608
(1R,2S)-2-benzyl-1-(4-bromo-2-fluorophenyl)propane-1,3-diol
CID 57112909
1-methyl-4-(1-phenylmethoxyethyl)benzene
CID 135034119
4-bromo-1-(1-chloropropan-2-yl)-2-fluorobenzene
CID 82973231
1-[(4-bromophenyl)methoxy]-1-(2-fluorophenyl)propan-2-amine
CID 82828300
(1S)-1-(4-bromo-2-fluorophenyl)-2-methylpropan-1-ol
CID 129371245
(3R)-3-phenylmethoxypentan-1-ol
CID 130841649
2-(4-bromo-2-fluorophenyl)propanoic acid
CID 67119220
3-(4-bromo-2-fluorophenyl)butan-1-amine
CID 117367048

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-1-(1-phenylmethoxyethyl)benzene?
The IUPAC name of 4-bromo-2-fluoro-1-(1-phenylmethoxyethyl)benzene (CID 139652718) is 4-bromo-2-fluoro-1-(1-phenylmethoxyethyl)benzene.
What is the SMILES notation for 4-bromo-2-fluoro-1-(1-phenylmethoxyethyl)benzene?
The canonical SMILES for 4-bromo-2-fluoro-1-(1-phenylmethoxyethyl)benzene is CC(OCc1ccccc1)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-2-fluoro-1-(1-phenylmethoxyethyl)benzene?
The InChIKey is NRCCVGBOLKOJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFO/c1-11(14-8-7-13(16)9-15(14)17)18-10-12-5-3-2-4-6-12/h2-9,11H,10H2,1H3.
What are the key properties of 4-bromo-2-fluoro-1-(1-phenylmethoxyethyl)benzene?
4-bromo-2-fluoro-1-(1-phenylmethoxyethyl)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 4-bromo-2-fluoro-1-(1-phenylmethoxyethyl)benzene is sourced from PubChem (CID 139652718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).