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

C15H11Br2FO2 — CID 102948055

IUPAC1-[4-bromo-2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(Br)cc1OCc1cc(Br)ccc1F
InChIInChI=1S/C15H11Br2FO2/c1-9(19)13-4-2-12(17)7-15(13)20-8-10-6-11(16)3-5-14(10)18/h2-7H,8H2,1H3
InChIKeyHVNDHUQFMNJLRQ-UHFFFAOYSA-N
MW402.06 g/mol
LogP5.13
Rot. Bonds4

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

1-[4-bromo-2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethanone (PubChem CID 102948055) has the molecular formula C15H11Br2FO2 and a molecular weight of 402.06 g/mol. Its IUPAC name is 1-[4-bromo-2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-bromo-2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethanone
PubChem CID102948055
Molecular FormulaC15H11Br2FO2
Molecular Weight402.06 g/mol
Exact Mass399.91
IUPAC Name1-[4-bromo-2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(Br)cc1OCc1cc(Br)ccc1F
InChIInChI=1S/C15H11Br2FO2/c1-9(19)13-4-2-12(17)7-15(13)20-8-10-6-11(16)3-5-14(10)18/h2-7H,8H2,1H3
InChIKeyHVNDHUQFMNJLRQ-UHFFFAOYSA-N
XLogP5.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.06
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[(5-bromo-2-fluorophenyl)methoxy]-4-methoxyphenyl]ethanone
CID 78978251
1-[4-bromo-2-[(5-bromo-2-methoxyphenyl)methoxy]phenyl]ethanone
CID 102948039
1-[4-bromo-2-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanone
CID 102947956
2-[(5-bromo-2-fluorophenyl)methoxy]-4-methylbenzoic acid
CID 61379280
1-[4-[(5-bromo-2-fluorophenyl)methoxy]-3-methoxyphenyl]ethanone
CID 28530286
1-[4-bromo-2-[(3-bromo-5-fluorophenyl)methoxy]phenyl]ethanone
CID 102948099
3-[(2-acetyl-4-bromophenoxy)methyl]-4-fluorobenzonitrile
CID 60705974
1-[4-bromo-2-(1,2-oxazol-5-ylmethoxy)phenyl]ethanone
CID 103804028
(NE)-N-[1-[2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethylidene]hydroxylamine
CID 43106090
2-bromo-1-[(5-bromo-2-fluorophenyl)methoxy]-4-methoxybenzene
CID 104707288
1-[4-[(5-bromo-2-fluorophenyl)methoxy]phenyl]propan-1-one
CID 30057894
1-[3-[(5-bromo-2-fluorophenoxy)methyl]-4-methoxyphenyl]ethanone
CID 115918445

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethanone?
The IUPAC name of 1-[4-bromo-2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethanone (CID 102948055) is 1-[4-bromo-2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethanone.
What is the SMILES notation for 1-[4-bromo-2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethanone?
The canonical SMILES for 1-[4-bromo-2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethanone is CC(=O)c1ccc(Br)cc1OCc1cc(Br)ccc1F.
What is the InChIKey of 1-[4-bromo-2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethanone?
The InChIKey is HVNDHUQFMNJLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br2FO2/c1-9(19)13-4-2-12(17)7-15(13)20-8-10-6-11(16)3-5-14(10)18/h2-7H,8H2,1H3.
What are the key properties of 1-[4-bromo-2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethanone?
1-[4-bromo-2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethanone has a molecular weight of 402.06 g/mol, XLogP of 5.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethanone is sourced from PubChem (CID 102948055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).