2-bromo-1-[4-[5-(2-bromoethenyl)naphthalen-1-yl]phenyl]ethanone

C20H14Br2O — CID 150983209

IUPAC2-bromo-1-[4-[5-(2-bromoethenyl)naphthalen-1-yl]phenyl]ethanone
SMILESO=C(CBr)c1ccc(-c2cccc3c(C=CBr)cccc23)cc1
InChIInChI=1S/C20H14Br2O/c21-12-11-14-3-1-6-19-17(14)4-2-5-18(19)15-7-9-16(10-8-15)20(23)13-22/h1-12H,13H2
InChIKeyLQNLCIBRUATLDF-UHFFFAOYSA-N
MW430.14 g/mol
LogP6.45
Rot. Bonds4

About 2-bromo-1-[4-[5-(2-bromoethenyl)naphthalen-1-yl]phenyl]ethanone

2-bromo-1-[4-[5-(2-bromoethenyl)naphthalen-1-yl]phenyl]ethanone (PubChem CID 150983209) has the molecular formula C20H14Br2O and a molecular weight of 430.14 g/mol. Its IUPAC name is 2-bromo-1-[4-[5-(2-bromoethenyl)naphthalen-1-yl]phenyl]ethanone.

Molecular Properties

Compound Name2-bromo-1-[4-[5-(2-bromoethenyl)naphthalen-1-yl]phenyl]ethanone
PubChem CID150983209
Molecular FormulaC20H14Br2O
Molecular Weight430.14 g/mol
Exact Mass427.94
IUPAC Name2-bromo-1-[4-[5-(2-bromoethenyl)naphthalen-1-yl]phenyl]ethanone
SMILESO=C(CBr)c1ccc(-c2cccc3c(C=CBr)cccc23)cc1
InChIInChI=1S/C20H14Br2O/c21-12-11-14-3-1-6-19-17(14)4-2-5-18(19)15-7-9-16(10-8-15)20(23)13-22/h1-12H,13H2
InChIKeyLQNLCIBRUATLDF-UHFFFAOYSA-N
XLogP6.45
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.14
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-1-[4-[5-(2-bromoacetyl)naphthalen-1-yl]phenyl]ethanone;hydrobromide
CID 172804870
2-bromo-1-phenylethanone;hydrochloride
CID 172844250
bromomethane;2-bromo-1-phenylethanone;ethane
CID 90907138
1-(2-bromoethenyl)naphthalene
CID 71403351
2-bromo-1-phenylethanone;toluene
CID 142995126
4-naphthalen-1-ylbenzoic acid
CID 2760151
1-[4-(2-bromophenyl)phenyl]propan-1-one
CID 115503571
1-[4-[4-(2-bromoacetyl)phenyl]phenyl]propan-1-one
CID 123680970
CID 89115348
CID 89115348
2-[3-(2-bromoacetyl)phenyl]isoindole-1,3-dione
CID 20552173
4-(2-bromoacetyl)benzoic acid
CID 2756836
2-bromo-1-(4-iodo-3-naphthalen-2-ylphenyl)ethanone
CID 126646994

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-[4-[5-(2-bromoethenyl)naphthalen-1-yl]phenyl]ethanone?
The IUPAC name of 2-bromo-1-[4-[5-(2-bromoethenyl)naphthalen-1-yl]phenyl]ethanone (CID 150983209) is 2-bromo-1-[4-[5-(2-bromoethenyl)naphthalen-1-yl]phenyl]ethanone.
What is the SMILES notation for 2-bromo-1-[4-[5-(2-bromoethenyl)naphthalen-1-yl]phenyl]ethanone?
The canonical SMILES for 2-bromo-1-[4-[5-(2-bromoethenyl)naphthalen-1-yl]phenyl]ethanone is O=C(CBr)c1ccc(-c2cccc3c(C=CBr)cccc23)cc1.
What is the InChIKey of 2-bromo-1-[4-[5-(2-bromoethenyl)naphthalen-1-yl]phenyl]ethanone?
The InChIKey is LQNLCIBRUATLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Br2O/c21-12-11-14-3-1-6-19-17(14)4-2-5-18(19)15-7-9-16(10-8-15)20(23)13-22/h1-12H,13H2.
What are the key properties of 2-bromo-1-[4-[5-(2-bromoethenyl)naphthalen-1-yl]phenyl]ethanone?
2-bromo-1-[4-[5-(2-bromoethenyl)naphthalen-1-yl]phenyl]ethanone has a molecular weight of 430.14 g/mol, XLogP of 6.45, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-[4-[5-(2-bromoethenyl)naphthalen-1-yl]phenyl]ethanone is sourced from PubChem (CID 150983209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).