1-[2-bromo-4-[(3-fluorophenyl)methoxy]phenyl]ethanone

C15H12BrFO2 — CID 91863532

IUPAC1-[2-bromo-4-[(3-fluorophenyl)methoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OCc2cccc(F)c2)cc1Br
InChIInChI=1S/C15H12BrFO2/c1-10(18)14-6-5-13(8-15(14)16)19-9-11-3-2-4-12(17)7-11/h2-8H,9H2,1H3
InChIKeyAKDWPODOYMHNPC-UHFFFAOYSA-N
MW323.16 g/mol
LogP4.37
Rot. Bonds4

About 1-[2-bromo-4-[(3-fluorophenyl)methoxy]phenyl]ethanone

1-[2-bromo-4-[(3-fluorophenyl)methoxy]phenyl]ethanone (PubChem CID 91863532) has the molecular formula C15H12BrFO2 and a molecular weight of 323.16 g/mol. Its IUPAC name is 1-[2-bromo-4-[(3-fluorophenyl)methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-bromo-4-[(3-fluorophenyl)methoxy]phenyl]ethanone
PubChem CID91863532
Molecular FormulaC15H12BrFO2
Molecular Weight323.16 g/mol
Exact Mass322.00
IUPAC Name1-[2-bromo-4-[(3-fluorophenyl)methoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OCc2cccc(F)c2)cc1Br
InChIInChI=1S/C15H12BrFO2/c1-10(18)14-6-5-13(8-15(14)16)19-9-11-3-2-4-12(17)7-11/h2-8H,9H2,1H3
InChIKeyAKDWPODOYMHNPC-UHFFFAOYSA-N
XLogP4.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.16
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-4-phenylmethoxyphenyl)ethanone
CID 70433955
1-[2-bromo-4-[(3-iodophenyl)methoxy]phenyl]ethanone
CID 91863535
2-[3-[(4-acetyl-3-bromophenoxy)methyl]phenyl]acetic acid
CID 91863540
1-[5-fluoro-2-[(3-fluorophenyl)methoxy]phenyl]ethanone
CID 78906404
2-[(3-fluorophenyl)methoxy]-4-methoxybenzamide
CID 17495497
3-[(4-acetyl-3-methoxyphenoxy)methyl]benzoic acid
CID 91863937
4-fluoro-2-[(3-fluorophenyl)methoxy]benzoic acid
CID 107014381
3-[(3-fluorophenyl)methoxy]benzoic acid
CID 6463764
1,2-difluoro-4-[(3-fluorophenyl)methoxy]benzene
CID 112788397
4-[(3-bromophenyl)methoxy]-2-fluorobenzoic acid
CID 113437320
2-acetyl-5-[(3-hydroxyphenyl)methoxy]benzoic acid
CID 91863786
[4-[(3-fluorophenyl)methoxy]-2-methylphenyl]boronic acid
CID 83139837

Frequently Asked Questions

What is the IUPAC name of 1-[2-bromo-4-[(3-fluorophenyl)methoxy]phenyl]ethanone?
The IUPAC name of 1-[2-bromo-4-[(3-fluorophenyl)methoxy]phenyl]ethanone (CID 91863532) is 1-[2-bromo-4-[(3-fluorophenyl)methoxy]phenyl]ethanone.
What is the SMILES notation for 1-[2-bromo-4-[(3-fluorophenyl)methoxy]phenyl]ethanone?
The canonical SMILES for 1-[2-bromo-4-[(3-fluorophenyl)methoxy]phenyl]ethanone is CC(=O)c1ccc(OCc2cccc(F)c2)cc1Br.
What is the InChIKey of 1-[2-bromo-4-[(3-fluorophenyl)methoxy]phenyl]ethanone?
The InChIKey is AKDWPODOYMHNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFO2/c1-10(18)14-6-5-13(8-15(14)16)19-9-11-3-2-4-12(17)7-11/h2-8H,9H2,1H3.
What are the key properties of 1-[2-bromo-4-[(3-fluorophenyl)methoxy]phenyl]ethanone?
1-[2-bromo-4-[(3-fluorophenyl)methoxy]phenyl]ethanone has a molecular weight of 323.16 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-bromo-4-[(3-fluorophenyl)methoxy]phenyl]ethanone is sourced from PubChem (CID 91863532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).