2-(2,6-dibromophenoxy)-1-phenylethanone

C14H10Br2O2 — CID 60593987

IUPAC2-(2,6-dibromophenoxy)-1-phenylethanone
SMILESO=C(COc1c(Br)cccc1Br)c1ccccc1
InChIInChI=1S/C14H10Br2O2/c15-11-7-4-8-12(16)14(11)18-9-13(17)10-5-2-1-3-6-10/h1-8H,9H2
InChIKeyXWWKROWFAGJBGH-UHFFFAOYSA-N
MW370.04 g/mol
LogP4.47
Rot. Bonds4

About 2-(2,6-dibromophenoxy)-1-phenylethanone

2-(2,6-dibromophenoxy)-1-phenylethanone (PubChem CID 60593987) has the molecular formula C14H10Br2O2 and a molecular weight of 370.04 g/mol. Its IUPAC name is 2-(2,6-dibromophenoxy)-1-phenylethanone.

Molecular Properties

Compound Name2-(2,6-dibromophenoxy)-1-phenylethanone
PubChem CID60593987
Molecular FormulaC14H10Br2O2
Molecular Weight370.04 g/mol
Exact Mass367.90
IUPAC Name2-(2,6-dibromophenoxy)-1-phenylethanone
SMILESO=C(COc1c(Br)cccc1Br)c1ccccc1
InChIInChI=1S/C14H10Br2O2/c15-11-7-4-8-12(16)14(11)18-9-13(17)10-5-2-1-3-6-10/h1-8H,9H2
InChIKeyXWWKROWFAGJBGH-UHFFFAOYSA-N
XLogP4.47
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 ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-dibromo-4-methylphenoxy)-1-phenylethanone
CID 8914654
2-(2-amino-6-bromophenoxy)-1-(3-chlorophenyl)ethanone
CID 59379213
2-(2-chloro-6-fluorophenoxy)-1-phenylethanone
CID 83051091
2-(4-phenacyloxyphenoxy)-1-phenylethanone
CID 962120
1-(3-fluorophenyl)-2-(2,4,6-tribromophenoxy)ethanone
CID 63566889
3-bromo-5-methoxy-4-phenacyloxybenzonitrile
CID 2975409
2-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]-1-phenylethanone
CID 134064664
2-phenacyloxy-1-phenylethanone
CID 12781821
2-(2-hydroxy-3,4,5,6-tetramethylphenoxy)-1-phenylethanone
CID 20613046
2-(2-bromophenoxy)-1-(4-fluorophenyl)ethanone
CID 10638587
1-(4-chlorophenyl)-2-(2,4,6-tribromophenoxy)ethanone
CID 60722971
4-(2-bromo-6-methoxyphenoxy)-1-phenylbutan-1-one
CID 83136474

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dibromophenoxy)-1-phenylethanone?
The IUPAC name of 2-(2,6-dibromophenoxy)-1-phenylethanone (CID 60593987) is 2-(2,6-dibromophenoxy)-1-phenylethanone.
What is the SMILES notation for 2-(2,6-dibromophenoxy)-1-phenylethanone?
The canonical SMILES for 2-(2,6-dibromophenoxy)-1-phenylethanone is O=C(COc1c(Br)cccc1Br)c1ccccc1.
What is the InChIKey of 2-(2,6-dibromophenoxy)-1-phenylethanone?
The InChIKey is XWWKROWFAGJBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2O2/c15-11-7-4-8-12(16)14(11)18-9-13(17)10-5-2-1-3-6-10/h1-8H,9H2.
What are the key properties of 2-(2,6-dibromophenoxy)-1-phenylethanone?
2-(2,6-dibromophenoxy)-1-phenylethanone has a molecular weight of 370.04 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dibromophenoxy)-1-phenylethanone is sourced from PubChem (CID 60593987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).