1-(2-bromo-3-chloro-4-fluoro-6-phenylmethoxyphenyl)ethanone

C15H11BrClFO2 — CID 157299083

IUPAC1-(2-bromo-3-chloro-4-fluoro-6-phenylmethoxyphenyl)ethanone
SMILESCC(=O)c1c(OCc2ccccc2)cc(F)c(Cl)c1Br
InChIInChI=1S/C15H11BrClFO2/c1-9(19)13-12(7-11(18)15(17)14(13)16)20-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3
InChIKeyGPWRRXIBEVSDDG-UHFFFAOYSA-N
MW357.61 g/mol
LogP5.02
Rot. Bonds4

About 1-(2-bromo-3-chloro-4-fluoro-6-phenylmethoxyphenyl)ethanone

1-(2-bromo-3-chloro-4-fluoro-6-phenylmethoxyphenyl)ethanone (PubChem CID 157299083) has the molecular formula C15H11BrClFO2 and a molecular weight of 357.61 g/mol. Its IUPAC name is 1-(2-bromo-3-chloro-4-fluoro-6-phenylmethoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(2-bromo-3-chloro-4-fluoro-6-phenylmethoxyphenyl)ethanone
PubChem CID157299083
Molecular FormulaC15H11BrClFO2
Molecular Weight357.61 g/mol
Exact Mass355.96
IUPAC Name1-(2-bromo-3-chloro-4-fluoro-6-phenylmethoxyphenyl)ethanone
SMILESCC(=O)c1c(OCc2ccccc2)cc(F)c(Cl)c1Br
InChIInChI=1S/C15H11BrClFO2/c1-9(19)13-12(7-11(18)15(17)14(13)16)20-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3
InChIKeyGPWRRXIBEVSDDG-UHFFFAOYSA-N
XLogP5.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.61
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(5-bromo-3-fluoro-2-methyl-6-phenylmethoxyphenyl)ethanone
CID 91197149
2-bromo-6-fluoro-3-phenylmethoxybenzoic acid
CID 155293763
2-fluoro-5-methyl-4-phenylmethoxybenzoic acid
CID 163198021
1-(2-fluoro-6-hydroxy-4-phenylmethoxyphenyl)ethanone
CID 91863185
1-[4-fluoro-2-(2-phenylmethoxyphenyl)phenyl]ethanone
CID 172649387
1-(2-bromo-3-iodo-4-phenylmethoxyphenyl)ethanone
CID 91863476
6-acetyl-2-fluoro-3-phenylmethoxybenzoic acid
CID 91863726
1-[2-chloro-4-phenylmethoxy-3-(trifluoromethyl)phenyl]ethanone
CID 91863406
1-[4-(3-chloro-2-fluorophenyl)-2-phenylmethoxyphenyl]ethanone
CID 171037805
6-bromo-2-chloro-3-phenylmethoxybenzoic acid
CID 146035320
phenyl 4-bromo-3-chloro-2-methyl-6-phenylmethoxybenzoate
CID 58493337
1-[4-(2-chlorophenyl)-2-phenylmethoxyphenyl]ethanone
CID 171037801

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-chloro-4-fluoro-6-phenylmethoxyphenyl)ethanone?
The IUPAC name of 1-(2-bromo-3-chloro-4-fluoro-6-phenylmethoxyphenyl)ethanone (CID 157299083) is 1-(2-bromo-3-chloro-4-fluoro-6-phenylmethoxyphenyl)ethanone.
What is the SMILES notation for 1-(2-bromo-3-chloro-4-fluoro-6-phenylmethoxyphenyl)ethanone?
The canonical SMILES for 1-(2-bromo-3-chloro-4-fluoro-6-phenylmethoxyphenyl)ethanone is CC(=O)c1c(OCc2ccccc2)cc(F)c(Cl)c1Br.
What is the InChIKey of 1-(2-bromo-3-chloro-4-fluoro-6-phenylmethoxyphenyl)ethanone?
The InChIKey is GPWRRXIBEVSDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClFO2/c1-9(19)13-12(7-11(18)15(17)14(13)16)20-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3.
What are the key properties of 1-(2-bromo-3-chloro-4-fluoro-6-phenylmethoxyphenyl)ethanone?
1-(2-bromo-3-chloro-4-fluoro-6-phenylmethoxyphenyl)ethanone has a molecular weight of 357.61 g/mol, XLogP of 5.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-chloro-4-fluoro-6-phenylmethoxyphenyl)ethanone is sourced from PubChem (CID 157299083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).