2-(4-bromo-2-methylphenoxy)-1-(3-bromophenyl)ethanone

C15H12Br2O2 — CID 55221609

IUPAC2-(4-bromo-2-methylphenoxy)-1-(3-bromophenyl)ethanone
SMILESCc1cc(Br)ccc1OCC(=O)c1cccc(Br)c1
InChIInChI=1S/C15H12Br2O2/c1-10-7-13(17)5-6-15(10)19-9-14(18)11-3-2-4-12(16)8-11/h2-8H,9H2,1H3
InChIKeyQCBVATYBGUQNAN-UHFFFAOYSA-N
MW384.07 g/mol
LogP4.78
Rot. Bonds4

About 2-(4-bromo-2-methylphenoxy)-1-(3-bromophenyl)ethanone

2-(4-bromo-2-methylphenoxy)-1-(3-bromophenyl)ethanone (PubChem CID 55221609) has the molecular formula C15H12Br2O2 and a molecular weight of 384.07 g/mol. Its IUPAC name is 2-(4-bromo-2-methylphenoxy)-1-(3-bromophenyl)ethanone.

Molecular Properties

Compound Name2-(4-bromo-2-methylphenoxy)-1-(3-bromophenyl)ethanone
PubChem CID55221609
Molecular FormulaC15H12Br2O2
Molecular Weight384.07 g/mol
Exact Mass381.92
IUPAC Name2-(4-bromo-2-methylphenoxy)-1-(3-bromophenyl)ethanone
SMILESCc1cc(Br)ccc1OCC(=O)c1cccc(Br)c1
InChIInChI=1S/C15H12Br2O2/c1-10-7-13(17)5-6-15(10)19-9-14(18)11-3-2-4-12(16)8-11/h2-8H,9H2,1H3
InChIKeyQCBVATYBGUQNAN-UHFFFAOYSA-N
XLogP4.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.07
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-chlorophenoxy)-1-(3-bromophenyl)ethanone
CID 7809726
3-bromo-N'-[2-(4-bromo-2-methylphenoxy)acetyl]benzohydrazide
CID 54790769
2-(4-bromo-2-methylphenoxy)-1-(4-ethoxyphenyl)ethanone
CID 63566036
N-(3-acetylphenyl)-2-(4-bromo-2-methylphenoxy)acetamide
CID 1013855
2-(4-bromo-2-methylphenoxy)acetamide
CID 803456
1-(3-bromophenyl)-2-(2-chlorophenoxy)ethanone
CID 60625595
2-(4-bromo-2-methylphenoxy)-1-(furan-2-yl)ethanone
CID 55026653
N-[2-[2-(3-bromophenyl)-2-oxoethoxy]phenyl]acetamide
CID 43413534
2-(2,4-dimethylphenoxy)-1-(3-fluorophenyl)ethanone
CID 43612481
1-(3-bromophenyl)-2-[(2-chloro-3-pyridinyl)oxy]ethanone
CID 166021386
4-[2-(3-bromophenyl)-2-oxoethoxy]-3-chlorobenzaldehyde
CID 62033108
1-(3-bromophenyl)-2-(4-tert-butylphenoxy)ethanone
CID 43412138

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylphenoxy)-1-(3-bromophenyl)ethanone?
The IUPAC name of 2-(4-bromo-2-methylphenoxy)-1-(3-bromophenyl)ethanone (CID 55221609) is 2-(4-bromo-2-methylphenoxy)-1-(3-bromophenyl)ethanone.
What is the SMILES notation for 2-(4-bromo-2-methylphenoxy)-1-(3-bromophenyl)ethanone?
The canonical SMILES for 2-(4-bromo-2-methylphenoxy)-1-(3-bromophenyl)ethanone is Cc1cc(Br)ccc1OCC(=O)c1cccc(Br)c1.
What is the InChIKey of 2-(4-bromo-2-methylphenoxy)-1-(3-bromophenyl)ethanone?
The InChIKey is QCBVATYBGUQNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2O2/c1-10-7-13(17)5-6-15(10)19-9-14(18)11-3-2-4-12(16)8-11/h2-8H,9H2,1H3.
What are the key properties of 2-(4-bromo-2-methylphenoxy)-1-(3-bromophenyl)ethanone?
2-(4-bromo-2-methylphenoxy)-1-(3-bromophenyl)ethanone has a molecular weight of 384.07 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methylphenoxy)-1-(3-bromophenyl)ethanone is sourced from PubChem (CID 55221609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).