(2-bromo-4-ethoxyphenyl)-(2,4-dibromophenyl)methanone

C15H11Br3O2 — CID 107949965

IUPAC(2-bromo-4-ethoxyphenyl)-(2,4-dibromophenyl)methanone
SMILESCCOc1ccc(C(=O)c2ccc(Br)cc2Br)c(Br)c1
InChIInChI=1S/C15H11Br3O2/c1-2-20-10-4-6-12(14(18)8-10)15(19)11-5-3-9(16)7-13(11)17/h3-8H,2H2,1H3
InChIKeyYXNNIFMPNXEOAF-UHFFFAOYSA-N
MW462.96 g/mol
LogP5.60
Rot. Bonds4

About (2-bromo-4-ethoxyphenyl)-(2,4-dibromophenyl)methanone

(2-bromo-4-ethoxyphenyl)-(2,4-dibromophenyl)methanone (PubChem CID 107949965) has the molecular formula C15H11Br3O2 and a molecular weight of 462.96 g/mol. Its IUPAC name is (2-bromo-4-ethoxyphenyl)-(2,4-dibromophenyl)methanone.

Molecular Properties

Compound Name(2-bromo-4-ethoxyphenyl)-(2,4-dibromophenyl)methanone
PubChem CID107949965
Molecular FormulaC15H11Br3O2
Molecular Weight462.96 g/mol
Exact Mass459.83
IUPAC Name(2-bromo-4-ethoxyphenyl)-(2,4-dibromophenyl)methanone
SMILESCCOc1ccc(C(=O)c2ccc(Br)cc2Br)c(Br)c1
InChIInChI=1S/C15H11Br3O2/c1-2-20-10-4-6-12(14(18)8-10)15(19)11-5-3-9(16)7-13(11)17/h3-8H,2H2,1H3
InChIKeyYXNNIFMPNXEOAF-UHFFFAOYSA-N
XLogP5.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.96
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromo-4-ethoxyphenyl)-(3-bromo-4-methylphenyl)methanone
CID 81471764
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CID 114819681
1-(2-bromo-4-ethoxyphenyl)prop-2-en-1-one
CID 103522548
(2-bromo-4-ethoxyphenyl)-(2-chloro-3-fluorophenyl)methanone
CID 81454699
1-(2-bromo-4-ethoxyphenyl)-2,2,2-trifluoroethanone
CID 81429202
3-bromo-1-(2-bromo-4-ethoxyphenyl)propan-1-one
CID 134624468
(2,4-dibromophenyl)-(4-propoxyphenyl)methanone
CID 107944442
2-bromo-N,4-diethoxybenzamide
CID 90850179
(4-bromo-2-fluorophenyl)-(2-bromo-4-methoxyphenyl)methanone
CID 60786111
2-bromo-1-(4-bromo-2-ethoxyphenyl)ethanone
CID 22121450
1-(2-bromo-4-ethoxyphenyl)-2-cyclopropylpropan-1-one
CID 83154667
(5-bromo-2-methoxyphenyl)-(4-ethoxyphenyl)methanone
CID 43339931

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-ethoxyphenyl)-(2,4-dibromophenyl)methanone?
The IUPAC name of (2-bromo-4-ethoxyphenyl)-(2,4-dibromophenyl)methanone (CID 107949965) is (2-bromo-4-ethoxyphenyl)-(2,4-dibromophenyl)methanone.
What is the SMILES notation for (2-bromo-4-ethoxyphenyl)-(2,4-dibromophenyl)methanone?
The canonical SMILES for (2-bromo-4-ethoxyphenyl)-(2,4-dibromophenyl)methanone is CCOc1ccc(C(=O)c2ccc(Br)cc2Br)c(Br)c1.
What is the InChIKey of (2-bromo-4-ethoxyphenyl)-(2,4-dibromophenyl)methanone?
The InChIKey is YXNNIFMPNXEOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br3O2/c1-2-20-10-4-6-12(14(18)8-10)15(19)11-5-3-9(16)7-13(11)17/h3-8H,2H2,1H3.
What are the key properties of (2-bromo-4-ethoxyphenyl)-(2,4-dibromophenyl)methanone?
(2-bromo-4-ethoxyphenyl)-(2,4-dibromophenyl)methanone has a molecular weight of 462.96 g/mol, XLogP of 5.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-ethoxyphenyl)-(2,4-dibromophenyl)methanone is sourced from PubChem (CID 107949965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).