(3-bromo-4-ethoxyphenyl)-(3-fluorophenyl)methanone

C15H12BrFO2 — CID 104656786

IUPAC(3-bromo-4-ethoxyphenyl)-(3-fluorophenyl)methanone
SMILESCCOc1ccc(C(=O)c2cccc(F)c2)cc1Br
InChIInChI=1S/C15H12BrFO2/c1-2-19-14-7-6-11(9-13(14)16)15(18)10-4-3-5-12(17)8-10/h3-9H,2H2,1H3
InChIKeyKMGFPLZCOXZESM-UHFFFAOYSA-N
MW323.16 g/mol
LogP4.22
Rot. Bonds4

About (3-bromo-4-ethoxyphenyl)-(3-fluorophenyl)methanone

(3-bromo-4-ethoxyphenyl)-(3-fluorophenyl)methanone (PubChem CID 104656786) has the molecular formula C15H12BrFO2 and a molecular weight of 323.16 g/mol. Its IUPAC name is (3-bromo-4-ethoxyphenyl)-(3-fluorophenyl)methanone.

Molecular Properties

Compound Name(3-bromo-4-ethoxyphenyl)-(3-fluorophenyl)methanone
PubChem CID104656786
Molecular FormulaC15H12BrFO2
Molecular Weight323.16 g/mol
Exact Mass322.00
IUPAC Name(3-bromo-4-ethoxyphenyl)-(3-fluorophenyl)methanone
SMILESCCOc1ccc(C(=O)c2cccc(F)c2)cc1Br
InChIInChI=1S/C15H12BrFO2/c1-2-19-14-7-6-11(9-13(14)16)15(18)10-4-3-5-12(17)8-10/h3-9H,2H2,1H3
InChIKeyKMGFPLZCOXZESM-UHFFFAOYSA-N
XLogP4.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.16
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-4-ethoxyphenyl)-(3-iodophenyl)methanone
CID 113438012
(3-bromo-4-ethoxyphenyl)-(3-fluoro-4-methylphenyl)methanone
CID 104656819
(3-bromo-4-ethoxyphenyl)-(2-bromo-3-fluorophenyl)methanone
CID 104656856
(3-bromo-4-propoxyphenyl)-(3,5-difluorophenyl)methanone
CID 104656996
(2-amino-4,5-difluorophenyl)-(3-bromo-4-ethoxyphenyl)methanone
CID 104662551
(3-bromo-2-chlorophenyl)-(3-bromo-4-ethoxyphenyl)methanone
CID 104656941
(3-bromo-4-ethoxyphenyl)-(4-chloro-2,5-difluorophenyl)methanone
CID 104656857
(3-bromo-4-ethoxyphenyl)-(3-chloro-2-methylphenyl)methanone
CID 107096226
(3-amino-2-methylphenyl)-(3-bromo-4-ethoxyphenyl)methanone
CID 104662561
(5-amino-2-fluorophenyl)-(3-bromo-4-ethoxyphenyl)methanone
CID 104662550
(3-bromophenyl)-(3-fluorophenyl)methanone
CID 19780750
bis(3,4-diethoxyphenyl)methanone
CID 135325793

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-ethoxyphenyl)-(3-fluorophenyl)methanone?
The IUPAC name of (3-bromo-4-ethoxyphenyl)-(3-fluorophenyl)methanone (CID 104656786) is (3-bromo-4-ethoxyphenyl)-(3-fluorophenyl)methanone.
What is the SMILES notation for (3-bromo-4-ethoxyphenyl)-(3-fluorophenyl)methanone?
The canonical SMILES for (3-bromo-4-ethoxyphenyl)-(3-fluorophenyl)methanone is CCOc1ccc(C(=O)c2cccc(F)c2)cc1Br.
What is the InChIKey of (3-bromo-4-ethoxyphenyl)-(3-fluorophenyl)methanone?
The InChIKey is KMGFPLZCOXZESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFO2/c1-2-19-14-7-6-11(9-13(14)16)15(18)10-4-3-5-12(17)8-10/h3-9H,2H2,1H3.
What are the key properties of (3-bromo-4-ethoxyphenyl)-(3-fluorophenyl)methanone?
(3-bromo-4-ethoxyphenyl)-(3-fluorophenyl)methanone has a molecular weight of 323.16 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-ethoxyphenyl)-(3-fluorophenyl)methanone is sourced from PubChem (CID 104656786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).