(3-bromo-4-ethoxyphenyl)-(2-bromo-3-fluorophenyl)methanone

C15H11Br2FO2 — CID 104656856

IUPAC(3-bromo-4-ethoxyphenyl)-(2-bromo-3-fluorophenyl)methanone
SMILESCCOc1ccc(C(=O)c2cccc(F)c2Br)cc1Br
InChIInChI=1S/C15H11Br2FO2/c1-2-20-13-7-6-9(8-11(13)16)15(19)10-4-3-5-12(18)14(10)17/h3-8H,2H2,1H3
InChIKeyRSRGUEGYYPZUTI-UHFFFAOYSA-N
MW402.06 g/mol
LogP4.98
Rot. Bonds4

About (3-bromo-4-ethoxyphenyl)-(2-bromo-3-fluorophenyl)methanone

(3-bromo-4-ethoxyphenyl)-(2-bromo-3-fluorophenyl)methanone (PubChem CID 104656856) has the molecular formula C15H11Br2FO2 and a molecular weight of 402.06 g/mol. Its IUPAC name is (3-bromo-4-ethoxyphenyl)-(2-bromo-3-fluorophenyl)methanone.

Molecular Properties

Compound Name(3-bromo-4-ethoxyphenyl)-(2-bromo-3-fluorophenyl)methanone
PubChem CID104656856
Molecular FormulaC15H11Br2FO2
Molecular Weight402.06 g/mol
Exact Mass399.91
IUPAC Name(3-bromo-4-ethoxyphenyl)-(2-bromo-3-fluorophenyl)methanone
SMILESCCOc1ccc(C(=O)c2cccc(F)c2Br)cc1Br
InChIInChI=1S/C15H11Br2FO2/c1-2-20-13-7-6-9(8-11(13)16)15(19)10-4-3-5-12(18)14(10)17/h3-8H,2H2,1H3
InChIKeyRSRGUEGYYPZUTI-UHFFFAOYSA-N
XLogP4.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.06
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(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)-(3-fluorophenyl)methanone
CID 104656786
(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
(3,4-diethoxyphenyl)-(2-fluorophenyl)methanone
CID 43337653
(3-bromo-4-ethoxyphenyl)-(3-fluoro-4-methylphenyl)methanone
CID 104656819
(3-bromo-4-ethoxyphenyl)-(2-methylfuran-3-yl)methanone
CID 104656850
(3-bromo-4-methoxyphenyl)-(2,3-difluorophenyl)methanone
CID 55101814
(3-bromo-4-ethoxyphenyl)-(3-iodophenyl)methanone
CID 113438012

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-ethoxyphenyl)-(2-bromo-3-fluorophenyl)methanone?
The IUPAC name of (3-bromo-4-ethoxyphenyl)-(2-bromo-3-fluorophenyl)methanone (CID 104656856) is (3-bromo-4-ethoxyphenyl)-(2-bromo-3-fluorophenyl)methanone.
What is the SMILES notation for (3-bromo-4-ethoxyphenyl)-(2-bromo-3-fluorophenyl)methanone?
The canonical SMILES for (3-bromo-4-ethoxyphenyl)-(2-bromo-3-fluorophenyl)methanone is CCOc1ccc(C(=O)c2cccc(F)c2Br)cc1Br.
What is the InChIKey of (3-bromo-4-ethoxyphenyl)-(2-bromo-3-fluorophenyl)methanone?
The InChIKey is RSRGUEGYYPZUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br2FO2/c1-2-20-13-7-6-9(8-11(13)16)15(19)10-4-3-5-12(18)14(10)17/h3-8H,2H2,1H3.
What are the key properties of (3-bromo-4-ethoxyphenyl)-(2-bromo-3-fluorophenyl)methanone?
(3-bromo-4-ethoxyphenyl)-(2-bromo-3-fluorophenyl)methanone has a molecular weight of 402.06 g/mol, XLogP of 4.98, 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)-(2-bromo-3-fluorophenyl)methanone is sourced from PubChem (CID 104656856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).