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

C15H11Br2ClO2 — CID 104656941

IUPAC(3-bromo-2-chlorophenyl)-(3-bromo-4-ethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)c2cccc(Br)c2Cl)cc1Br
InChIInChI=1S/C15H11Br2ClO2/c1-2-20-13-7-6-9(8-12(13)17)15(19)10-4-3-5-11(16)14(10)18/h3-8H,2H2,1H3
InChIKeyFUIHQVBZKOWGKS-UHFFFAOYSA-N
MW418.51 g/mol
LogP5.49
Rot. Bonds4

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

(3-bromo-2-chlorophenyl)-(3-bromo-4-ethoxyphenyl)methanone (PubChem CID 104656941) has the molecular formula C15H11Br2ClO2 and a molecular weight of 418.51 g/mol. Its IUPAC name is (3-bromo-2-chlorophenyl)-(3-bromo-4-ethoxyphenyl)methanone.

Molecular Properties

Compound Name(3-bromo-2-chlorophenyl)-(3-bromo-4-ethoxyphenyl)methanone
PubChem CID104656941
Molecular FormulaC15H11Br2ClO2
Molecular Weight418.51 g/mol
Exact Mass415.88
IUPAC Name(3-bromo-2-chlorophenyl)-(3-bromo-4-ethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)c2cccc(Br)c2Cl)cc1Br
InChIInChI=1S/C15H11Br2ClO2/c1-2-20-13-7-6-9(8-12(13)17)15(19)10-4-3-5-11(16)14(10)18/h3-8H,2H2,1H3
InChIKeyFUIHQVBZKOWGKS-UHFFFAOYSA-N
XLogP5.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.51
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-2-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanone
CID 104657103
(3-bromo-4-ethoxyphenyl)-(3-chloro-2-methylphenyl)methanone
CID 107096226
(3-bromo-4-ethoxyphenyl)-(2-bromo-3-fluorophenyl)methanone
CID 104656856
(3-amino-2-methylphenyl)-(3-bromo-4-ethoxyphenyl)methanone
CID 104662561
(3-bromo-4-ethoxyphenyl)-(4-chloro-2,5-difluorophenyl)methanone
CID 104656857
(3-bromo-4-ethoxyphenyl)-(3-fluorophenyl)methanone
CID 104656786
(3-bromo-4-ethoxyphenyl)-(3-iodophenyl)methanone
CID 113438012
(3-amino-4,5-dichlorophenyl)-(3-bromo-4-ethoxyphenyl)methanone
CID 104662563
(2-amino-4,5-difluorophenyl)-(3-bromo-4-ethoxyphenyl)methanone
CID 104662551
(3-bromo-4-ethoxyphenyl)-(2,5-dimethylphenyl)methanone
CID 104656758
(3-bromo-4-ethoxyphenyl)-(2-methylfuran-3-yl)methanone
CID 104656850
(3-bromo-2-chlorophenyl)-(3-propylphenyl)methanone
CID 115812265

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-chlorophenyl)-(3-bromo-4-ethoxyphenyl)methanone?
The IUPAC name of (3-bromo-2-chlorophenyl)-(3-bromo-4-ethoxyphenyl)methanone (CID 104656941) is (3-bromo-2-chlorophenyl)-(3-bromo-4-ethoxyphenyl)methanone.
What is the SMILES notation for (3-bromo-2-chlorophenyl)-(3-bromo-4-ethoxyphenyl)methanone?
The canonical SMILES for (3-bromo-2-chlorophenyl)-(3-bromo-4-ethoxyphenyl)methanone is CCOc1ccc(C(=O)c2cccc(Br)c2Cl)cc1Br.
What is the InChIKey of (3-bromo-2-chlorophenyl)-(3-bromo-4-ethoxyphenyl)methanone?
The InChIKey is FUIHQVBZKOWGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br2ClO2/c1-2-20-13-7-6-9(8-12(13)17)15(19)10-4-3-5-11(16)14(10)18/h3-8H,2H2,1H3.
What are the key properties of (3-bromo-2-chlorophenyl)-(3-bromo-4-ethoxyphenyl)methanone?
(3-bromo-2-chlorophenyl)-(3-bromo-4-ethoxyphenyl)methanone has a molecular weight of 418.51 g/mol, XLogP of 5.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-chlorophenyl)-(3-bromo-4-ethoxyphenyl)methanone is sourced from PubChem (CID 104656941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).