(2,5-dibromo-4-methylphenyl)-(2-ethoxyphenyl)methanone

C16H14Br2O2 — CID 81467462

IUPAC(2,5-dibromo-4-methylphenyl)-(2-ethoxyphenyl)methanone
SMILESCCOc1ccccc1C(=O)c1cc(Br)c(C)cc1Br
InChIInChI=1S/C16H14Br2O2/c1-3-20-15-7-5-4-6-11(15)16(19)12-9-13(17)10(2)8-14(12)18/h4-9H,3H2,1-2H3
InChIKeyMWZVUEDTSQYJFX-UHFFFAOYSA-N
MW398.09 g/mol
LogP5.15
Rot. Bonds4

About (2,5-dibromo-4-methylphenyl)-(2-ethoxyphenyl)methanone

(2,5-dibromo-4-methylphenyl)-(2-ethoxyphenyl)methanone (PubChem CID 81467462) has the molecular formula C16H14Br2O2 and a molecular weight of 398.09 g/mol. Its IUPAC name is (2,5-dibromo-4-methylphenyl)-(2-ethoxyphenyl)methanone.

Molecular Properties

Compound Name(2,5-dibromo-4-methylphenyl)-(2-ethoxyphenyl)methanone
PubChem CID81467462
Molecular FormulaC16H14Br2O2
Molecular Weight398.09 g/mol
Exact Mass395.94
IUPAC Name(2,5-dibromo-4-methylphenyl)-(2-ethoxyphenyl)methanone
SMILESCCOc1ccccc1C(=O)c1cc(Br)c(C)cc1Br
InChIInChI=1S/C16H14Br2O2/c1-3-20-15-7-5-4-6-11(15)16(19)12-9-13(17)10(2)8-14(12)18/h4-9H,3H2,1-2H3
InChIKeyMWZVUEDTSQYJFX-UHFFFAOYSA-N
XLogP5.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.09
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2-ethoxybenzoyl)phenyl] hydrogen carbonate
CID 174463979
(2-bromo-4,5-diethoxyphenyl)-phenylmethanone
CID 43162233
(2-bromo-5-methylphenyl)-(2-ethoxy-5-methylphenyl)methanone
CID 81110926
(4-bromo-2,6-difluorophenyl)-(2-ethoxyphenyl)methanone
CID 114971145
2-ethoxybenzoyl bromide
CID 19426336
(2-ethoxyphenyl)-(2-methoxy-3,4-dimethylphenyl)methanone
CID 103433024
(2,5-dichlorothiophen-3-yl)-(2-ethoxyphenyl)methanone
CID 43344791
(3-bromophenyl)-(2,5-dibromo-4-methylphenyl)methanone
CID 81467352
2-ethoxybenzenecarboperoxoic acid
CID 22314606
2-ethoxybenzoic acid;zinc
CID 172723273
(2-ethoxyphenyl)-(4-methyl-1H-indol-3-yl)methanone
CID 43341913
(5-chloro-2-methoxyphenyl)-(2-ethoxyphenyl)methanone
CID 79020316

Frequently Asked Questions

What is the IUPAC name of (2,5-dibromo-4-methylphenyl)-(2-ethoxyphenyl)methanone?
The IUPAC name of (2,5-dibromo-4-methylphenyl)-(2-ethoxyphenyl)methanone (CID 81467462) is (2,5-dibromo-4-methylphenyl)-(2-ethoxyphenyl)methanone.
What is the SMILES notation for (2,5-dibromo-4-methylphenyl)-(2-ethoxyphenyl)methanone?
The canonical SMILES for (2,5-dibromo-4-methylphenyl)-(2-ethoxyphenyl)methanone is CCOc1ccccc1C(=O)c1cc(Br)c(C)cc1Br.
What is the InChIKey of (2,5-dibromo-4-methylphenyl)-(2-ethoxyphenyl)methanone?
The InChIKey is MWZVUEDTSQYJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Br2O2/c1-3-20-15-7-5-4-6-11(15)16(19)12-9-13(17)10(2)8-14(12)18/h4-9H,3H2,1-2H3.
What are the key properties of (2,5-dibromo-4-methylphenyl)-(2-ethoxyphenyl)methanone?
(2,5-dibromo-4-methylphenyl)-(2-ethoxyphenyl)methanone has a molecular weight of 398.09 g/mol, XLogP of 5.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dibromo-4-methylphenyl)-(2-ethoxyphenyl)methanone is sourced from PubChem (CID 81467462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).