1-(2-bromo-5-fluorophenyl)-3-(3-methylphenyl)propan-2-one

C16H14BrFO — CID 62619910

IUPAC1-(2-bromo-5-fluorophenyl)-3-(3-methylphenyl)propan-2-one
SMILESCc1cccc(CC(=O)Cc2cc(F)ccc2Br)c1
InChIInChI=1S/C16H14BrFO/c1-11-3-2-4-12(7-11)8-15(19)10-13-9-14(18)5-6-16(13)17/h2-7,9H,8,10H2,1H3
InChIKeyJGNYSOSQJAPSME-UHFFFAOYSA-N
MW321.19 g/mol
LogP4.25
Rot. Bonds4

About 1-(2-bromo-5-fluorophenyl)-3-(3-methylphenyl)propan-2-one

1-(2-bromo-5-fluorophenyl)-3-(3-methylphenyl)propan-2-one (PubChem CID 62619910) has the molecular formula C16H14BrFO and a molecular weight of 321.19 g/mol. Its IUPAC name is 1-(2-bromo-5-fluorophenyl)-3-(3-methylphenyl)propan-2-one.

Molecular Properties

Compound Name1-(2-bromo-5-fluorophenyl)-3-(3-methylphenyl)propan-2-one
PubChem CID62619910
Molecular FormulaC16H14BrFO
Molecular Weight321.19 g/mol
Exact Mass320.02
IUPAC Name1-(2-bromo-5-fluorophenyl)-3-(3-methylphenyl)propan-2-one
SMILESCc1cccc(CC(=O)Cc2cc(F)ccc2Br)c1
InChIInChI=1S/C16H14BrFO/c1-11-3-2-4-12(7-11)8-15(19)10-13-9-14(18)5-6-16(13)17/h2-7,9H,8,10H2,1H3
InChIKeyJGNYSOSQJAPSME-UHFFFAOYSA-N
XLogP4.25
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.19
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-5-fluorophenyl)-3-(3-fluorophenyl)propan-2-one
CID 62621730
1-(2-bromo-5-fluorophenyl)-4-(3-methylphenoxy)butan-2-one
CID 105090148
1-(2-fluoro-3-methoxyphenyl)-3-(3-methylphenyl)propan-2-one
CID 104793404
1-(4-bromophenyl)-3-(3-methylphenyl)propan-2-one
CID 60798384
1-(3-methylphenyl)-3-phenylpropan-2-one
CID 14882321
1-(2-bromo-5-fluorophenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-one
CID 105090125
1-(2-bromo-5-fluorophenyl)-4-(3-methylphenyl)butan-2-ol
CID 105088452
N-[(2-bromo-5-fluorophenyl)methyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 55900343
1-(2-bromo-5-fluorophenyl)-3-(2-chlorophenyl)propan-2-one
CID 62621399
1-(2-bromo-5-fluorophenyl)-3-chloropropan-2-one
CID 118843600
2-(3-bromophenyl)acetic acid;2-(3-fluorophenyl)acetic acid;2-(3-methylphenyl)acetic acid
CID 159192805
1-(4-bromo-2-chlorophenyl)-3-(3-methylphenyl)propan-2-one
CID 113471183

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluorophenyl)-3-(3-methylphenyl)propan-2-one?
The IUPAC name of 1-(2-bromo-5-fluorophenyl)-3-(3-methylphenyl)propan-2-one (CID 62619910) is 1-(2-bromo-5-fluorophenyl)-3-(3-methylphenyl)propan-2-one.
What is the SMILES notation for 1-(2-bromo-5-fluorophenyl)-3-(3-methylphenyl)propan-2-one?
The canonical SMILES for 1-(2-bromo-5-fluorophenyl)-3-(3-methylphenyl)propan-2-one is Cc1cccc(CC(=O)Cc2cc(F)ccc2Br)c1.
What is the InChIKey of 1-(2-bromo-5-fluorophenyl)-3-(3-methylphenyl)propan-2-one?
The InChIKey is JGNYSOSQJAPSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFO/c1-11-3-2-4-12(7-11)8-15(19)10-13-9-14(18)5-6-16(13)17/h2-7,9H,8,10H2,1H3.
What are the key properties of 1-(2-bromo-5-fluorophenyl)-3-(3-methylphenyl)propan-2-one?
1-(2-bromo-5-fluorophenyl)-3-(3-methylphenyl)propan-2-one has a molecular weight of 321.19 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-fluorophenyl)-3-(3-methylphenyl)propan-2-one is sourced from PubChem (CID 62619910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).