2-bromo-1-[4-(4-bromophenoxy)phenyl]ethanone

C14H10Br2O2 — CID 59341202

IUPAC2-bromo-1-[4-(4-bromophenoxy)phenyl]ethanone
SMILESO=C(CBr)c1ccc(Oc2ccc(Br)cc2)cc1
InChIInChI=1S/C14H10Br2O2/c15-9-14(17)10-1-5-12(6-2-10)18-13-7-3-11(16)4-8-13/h1-8H,9H2
InChIKeyZHPUFFXDBRXSHP-UHFFFAOYSA-N
MW370.04 g/mol
LogP4.82
Rot. Bonds4

About 2-bromo-1-[4-(4-bromophenoxy)phenyl]ethanone

2-bromo-1-[4-(4-bromophenoxy)phenyl]ethanone (PubChem CID 59341202) has the molecular formula C14H10Br2O2 and a molecular weight of 370.04 g/mol. Its IUPAC name is 2-bromo-1-[4-(4-bromophenoxy)phenyl]ethanone.

Molecular Properties

Compound Name2-bromo-1-[4-(4-bromophenoxy)phenyl]ethanone
PubChem CID59341202
Molecular FormulaC14H10Br2O2
Molecular Weight370.04 g/mol
Exact Mass367.90
IUPAC Name2-bromo-1-[4-(4-bromophenoxy)phenyl]ethanone
SMILESO=C(CBr)c1ccc(Oc2ccc(Br)cc2)cc1
InChIInChI=1S/C14H10Br2O2/c15-9-14(17)10-1-5-12(6-2-10)18-13-7-3-11(16)4-8-13/h1-8H,9H2
InChIKeyZHPUFFXDBRXSHP-UHFFFAOYSA-N
XLogP4.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.04
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-bromo-1-[4-(4-ethoxyphenoxy)phenyl]ethanone
CID 141476338
methyl 3-[4-(4-bromophenoxy)phenyl]-3-oxopropanoate
CID 166949210
2-bromo-1-[4-(4-nitrophenoxy)phenyl]ethanone
CID 87060508
2-(4-bromophenyl)-1-(4-phenoxyphenyl)ethanone
CID 14256935
azane;2-bromo-1-(4-methoxyphenyl)ethanone
CID 118975954
1-bromo-4-(4-bromophenoxy)benzene
CID 16305
(4-bromophenyl)-(4-phenoxyphenyl)methanone
CID 139928353
2-(3,5-dibromophenyl)-1-[4-[4-[2-(3,5-dibromophenyl)acetyl]phenoxy]phenyl]ethanone
CID 68953241
sodium;2-bromo-1-(4-bromophenyl)ethanone;1-(4-bromophenyl)-2-hydroxyethanone;acetate
CID 159147528
2-[4-(bromomethyl)phenoxy]-1-(4-bromophenyl)ethanone
CID 67899293
2-bromo-1-(4-butoxyphenyl)ethanone
CID 11288719
4-(2-bromoacetyl)benzoic acid
CID 2756836

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-[4-(4-bromophenoxy)phenyl]ethanone?
The IUPAC name of 2-bromo-1-[4-(4-bromophenoxy)phenyl]ethanone (CID 59341202) is 2-bromo-1-[4-(4-bromophenoxy)phenyl]ethanone.
What is the SMILES notation for 2-bromo-1-[4-(4-bromophenoxy)phenyl]ethanone?
The canonical SMILES for 2-bromo-1-[4-(4-bromophenoxy)phenyl]ethanone is O=C(CBr)c1ccc(Oc2ccc(Br)cc2)cc1.
What is the InChIKey of 2-bromo-1-[4-(4-bromophenoxy)phenyl]ethanone?
The InChIKey is ZHPUFFXDBRXSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2O2/c15-9-14(17)10-1-5-12(6-2-10)18-13-7-3-11(16)4-8-13/h1-8H,9H2.
What are the key properties of 2-bromo-1-[4-(4-bromophenoxy)phenyl]ethanone?
2-bromo-1-[4-(4-bromophenoxy)phenyl]ethanone has a molecular weight of 370.04 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-[4-(4-bromophenoxy)phenyl]ethanone is sourced from PubChem (CID 59341202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).