1-(5-bromo-2-phenylmethoxyphenyl)-2-(3-fluorophenyl)ethanone

C21H16BrFO2 — CID 157394263

IUPAC1-(5-bromo-2-phenylmethoxyphenyl)-2-(3-fluorophenyl)ethanone
SMILESO=C(Cc1cccc(F)c1)c1cc(Br)ccc1OCc1ccccc1
InChIInChI=1S/C21H16BrFO2/c22-17-9-10-21(25-14-15-5-2-1-3-6-15)19(13-17)20(24)12-16-7-4-8-18(23)11-16/h1-11,13H,12,14H2
InChIKeyBMJNZTRBYUIISA-UHFFFAOYSA-N
MW399.26 g/mol
LogP5.59
Rot. Bonds6

About 1-(5-bromo-2-phenylmethoxyphenyl)-2-(3-fluorophenyl)ethanone

1-(5-bromo-2-phenylmethoxyphenyl)-2-(3-fluorophenyl)ethanone (PubChem CID 157394263) has the molecular formula C21H16BrFO2 and a molecular weight of 399.26 g/mol. Its IUPAC name is 1-(5-bromo-2-phenylmethoxyphenyl)-2-(3-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(5-bromo-2-phenylmethoxyphenyl)-2-(3-fluorophenyl)ethanone
PubChem CID157394263
Molecular FormulaC21H16BrFO2
Molecular Weight399.26 g/mol
Exact Mass398.03
IUPAC Name1-(5-bromo-2-phenylmethoxyphenyl)-2-(3-fluorophenyl)ethanone
SMILESO=C(Cc1cccc(F)c1)c1cc(Br)ccc1OCc1ccccc1
InChIInChI=1S/C21H16BrFO2/c22-17-9-10-21(25-14-15-5-2-1-3-6-15)19(13-17)20(24)12-16-7-4-8-18(23)11-16/h1-11,13H,12,14H2
InChIKeyBMJNZTRBYUIISA-UHFFFAOYSA-N
XLogP5.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.26
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-phenylmethoxyphenyl)-2-(3-ethylphenyl)ethanone
CID 161238238
1-(5-bromo-2-phenylmethoxyphenyl)-2-pyridin-2-ylethanone
CID 158421161
2-[(3-fluorophenyl)methoxy]-5-methylbenzoic acid
CID 60652984
1-(3-bromophenyl)-2-(3-fluorophenyl)ethanone
CID 24723944
5-bromo-2-[(3-bromophenyl)methoxy]benzamide
CID 91683518
1-[5-fluoro-2-[(3-fluorophenyl)methoxy]phenyl]ethanone
CID 78906404
5-(4-fluorophenyl)-2-phenylmethoxybenzoic acid
CID 154202317
4-fluoro-2-[(3-fluorophenyl)methoxy]benzoic acid
CID 107014381
4-bromo-2-[(3-fluorophenyl)methoxy]-1-methylbenzene
CID 107284187
(5-bromo-2-phenylmethoxyphenyl)methylcarbamic acid
CID 68634173
1-(2-amino-5-fluorophenyl)-2-(3-fluorophenyl)ethanone
CID 82685528
4-bromo-2-ethyl-1-phenylmethoxybenzene;ethane
CID 144758228

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-phenylmethoxyphenyl)-2-(3-fluorophenyl)ethanone?
The IUPAC name of 1-(5-bromo-2-phenylmethoxyphenyl)-2-(3-fluorophenyl)ethanone (CID 157394263) is 1-(5-bromo-2-phenylmethoxyphenyl)-2-(3-fluorophenyl)ethanone.
What is the SMILES notation for 1-(5-bromo-2-phenylmethoxyphenyl)-2-(3-fluorophenyl)ethanone?
The canonical SMILES for 1-(5-bromo-2-phenylmethoxyphenyl)-2-(3-fluorophenyl)ethanone is O=C(Cc1cccc(F)c1)c1cc(Br)ccc1OCc1ccccc1.
What is the InChIKey of 1-(5-bromo-2-phenylmethoxyphenyl)-2-(3-fluorophenyl)ethanone?
The InChIKey is BMJNZTRBYUIISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16BrFO2/c22-17-9-10-21(25-14-15-5-2-1-3-6-15)19(13-17)20(24)12-16-7-4-8-18(23)11-16/h1-11,13H,12,14H2.
What are the key properties of 1-(5-bromo-2-phenylmethoxyphenyl)-2-(3-fluorophenyl)ethanone?
1-(5-bromo-2-phenylmethoxyphenyl)-2-(3-fluorophenyl)ethanone has a molecular weight of 399.26 g/mol, XLogP of 5.59, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-phenylmethoxyphenyl)-2-(3-fluorophenyl)ethanone is sourced from PubChem (CID 157394263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).