1-(5-bromo-2-fluorophenyl)-3-phenylprop-2-en-1-one

C15H10BrFO — CID 71848316

IUPAC1-(5-bromo-2-fluorophenyl)-3-phenylprop-2-en-1-one
SMILESO=C(C=Cc1ccccc1)c1cc(Br)ccc1F
InChIInChI=1S/C15H10BrFO/c16-12-7-8-14(17)13(10-12)15(18)9-6-11-4-2-1-3-5-11/h1-10H
InChIKeyAHWDVKPLROKWIT-UHFFFAOYSA-N
MW305.15 g/mol
LogP4.48
Rot. Bonds3

About 1-(5-bromo-2-fluorophenyl)-3-phenylprop-2-en-1-one

1-(5-bromo-2-fluorophenyl)-3-phenylprop-2-en-1-one (PubChem CID 71848316) has the molecular formula C15H10BrFO and a molecular weight of 305.15 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-3-phenylprop-2-en-1-one
PubChem CID71848316
Molecular FormulaC15H10BrFO
Molecular Weight305.15 g/mol
Exact Mass303.99
IUPAC Name1-(5-bromo-2-fluorophenyl)-3-phenylprop-2-en-1-one
SMILESO=C(C=Cc1ccccc1)c1cc(Br)ccc1F
InChIInChI=1S/C15H10BrFO/c16-12-7-8-14(17)13(10-12)15(18)9-6-11-4-2-1-3-5-11/h1-10H
InChIKeyAHWDVKPLROKWIT-UHFFFAOYSA-N
XLogP4.48
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.15
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(4-bromophenyl)-1-(2,5-difluorophenyl)prop-2-en-1-one
CID 66667100
(E)-1-(4-chloro-2-fluorophenyl)-3-phenylprop-2-en-1-one
CID 146010544
3-[3-(4-bromo-2-fluorophenyl)-3-oxoprop-1-enyl]benzoic acid
CID 90689593
(E)-1-(5-fluoro-2,4-dihydroxyphenyl)-3-phenylprop-2-en-1-one
CID 178046170
1-(5-bromo-2-fluorophenyl)prop-2-en-1-one
CID 83643848
(E)-3-(4-bromo-2-fluorophenyl)-1-(2,5-difluorophenyl)prop-2-en-1-one
CID 8832402
(E)-1-(5-bromo-2-fluorophenyl)-3-(2,3-dimethoxyphenyl)prop-2-en-1-one
CID 75362881
5-bromo-2-[(E)-3-phenylprop-2-enoyl]oxybenzoic acid
CID 54854493
1-(5-bromo-2-hydroxyphenyl)-3-(3-chlorophenyl)prop-2-en-1-one
CID 67174273
1-(4,5-difluoro-2-methoxyphenyl)-3-phenylprop-2-en-1-one
CID 162367051
(E)-1-(2-fluorophenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
CID 10399428
5-bromo-2-(3-phenylprop-2-enoyl)-1-benzofuran-3-carboxamide
CID 69072005

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-3-phenylprop-2-en-1-one?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-3-phenylprop-2-en-1-one (CID 71848316) is 1-(5-bromo-2-fluorophenyl)-3-phenylprop-2-en-1-one.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-3-phenylprop-2-en-1-one?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-3-phenylprop-2-en-1-one is O=C(C=Cc1ccccc1)c1cc(Br)ccc1F.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-3-phenylprop-2-en-1-one?
The InChIKey is AHWDVKPLROKWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFO/c16-12-7-8-14(17)13(10-12)15(18)9-6-11-4-2-1-3-5-11/h1-10H.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-3-phenylprop-2-en-1-one?
1-(5-bromo-2-fluorophenyl)-3-phenylprop-2-en-1-one has a molecular weight of 305.15 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-3-phenylprop-2-en-1-one is sourced from PubChem (CID 71848316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).