1-[5-bromo-2-(4-bromophenoxy)phenyl]ethanone

C14H10Br2O2 — CID 82966680

IUPAC1-[5-bromo-2-(4-bromophenoxy)phenyl]ethanone
SMILESCC(=O)c1cc(Br)ccc1Oc1ccc(Br)cc1
InChIInChI=1S/C14H10Br2O2/c1-9(17)13-8-11(16)4-7-14(13)18-12-5-2-10(15)3-6-12/h2-8H,1H3
InChIKeyRYVJBOPPXZYFTR-UHFFFAOYSA-N
MW370.04 g/mol
LogP5.21
Rot. Bonds3

About 1-[5-bromo-2-(4-bromophenoxy)phenyl]ethanone

1-[5-bromo-2-(4-bromophenoxy)phenyl]ethanone (PubChem CID 82966680) has the molecular formula C14H10Br2O2 and a molecular weight of 370.04 g/mol. Its IUPAC name is 1-[5-bromo-2-(4-bromophenoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[5-bromo-2-(4-bromophenoxy)phenyl]ethanone
PubChem CID82966680
Molecular FormulaC14H10Br2O2
Molecular Weight370.04 g/mol
Exact Mass367.90
IUPAC Name1-[5-bromo-2-(4-bromophenoxy)phenyl]ethanone
SMILESCC(=O)c1cc(Br)ccc1Oc1ccc(Br)cc1
InChIInChI=1S/C14H10Br2O2/c1-9(17)13-8-11(16)4-7-14(13)18-12-5-2-10(15)3-6-12/h2-8H,1H3
InChIKeyRYVJBOPPXZYFTR-UHFFFAOYSA-N
XLogP5.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.04
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-bromo-2-(4-fluorophenoxy)phenyl]ethanone
CID 82966681
1-[4-bromo-2-(4-bromophenoxy)phenyl]ethanone
CID 82966599
1-[5-bromo-2-(3,5-dimethoxyphenoxy)phenyl]ethanone
CID 82956350
1-[5-bromo-2-(2-bromo-4-methoxyphenoxy)phenyl]ethanone
CID 104707843
1-[5-bromo-2-(4-chloro-3-methylphenoxy)phenyl]ethanone
CID 82972295
1-(5-bromo-2-methoxyphenyl)ethanone
CID 2757029
1-[4-bromo-2-(4-fluorophenoxy)phenyl]ethanone
CID 82966600
1-(5-bromo-2-propan-2-yloxyphenyl)ethanone
CID 60643994
1-[5-bromo-2-(2-iodophenoxy)phenyl]ethanone
CID 82972451
1-[5-bromo-2-(2-bromo-4-fluorophenoxy)phenyl]ethanone
CID 82967321
1-[5-fluoro-2-(4-fluorophenoxy)phenyl]ethanone
CID 14797581
1-[5-bromo-2-(2-chloro-5-methylphenoxy)phenyl]ethanone
CID 82971994

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-(4-bromophenoxy)phenyl]ethanone?
The IUPAC name of 1-[5-bromo-2-(4-bromophenoxy)phenyl]ethanone (CID 82966680) is 1-[5-bromo-2-(4-bromophenoxy)phenyl]ethanone.
What is the SMILES notation for 1-[5-bromo-2-(4-bromophenoxy)phenyl]ethanone?
The canonical SMILES for 1-[5-bromo-2-(4-bromophenoxy)phenyl]ethanone is CC(=O)c1cc(Br)ccc1Oc1ccc(Br)cc1.
What is the InChIKey of 1-[5-bromo-2-(4-bromophenoxy)phenyl]ethanone?
The InChIKey is RYVJBOPPXZYFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2O2/c1-9(17)13-8-11(16)4-7-14(13)18-12-5-2-10(15)3-6-12/h2-8H,1H3.
What are the key properties of 1-[5-bromo-2-(4-bromophenoxy)phenyl]ethanone?
1-[5-bromo-2-(4-bromophenoxy)phenyl]ethanone has a molecular weight of 370.04 g/mol, XLogP of 5.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-(4-bromophenoxy)phenyl]ethanone is sourced from PubChem (CID 82966680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).