1-(5-bromo-4-fluoro-2-methoxyphenyl)decan-1-one

C17H24BrFO2 — CID 103394166

IUPAC1-(5-bromo-4-fluoro-2-methoxyphenyl)decan-1-one
SMILESCCCCCCCCCC(=O)c1cc(Br)c(F)cc1OC
InChIInChI=1S/C17H24BrFO2/c1-3-4-5-6-7-8-9-10-16(20)13-11-14(18)15(19)12-17(13)21-2/h11-12H,3-10H2,1-2H3
InChIKeyBZYWKSGSTSIVNA-UHFFFAOYSA-N
MW359.28 g/mol
LogP5.92
Rot. Bonds10

About 1-(5-bromo-4-fluoro-2-methoxyphenyl)decan-1-one

1-(5-bromo-4-fluoro-2-methoxyphenyl)decan-1-one (PubChem CID 103394166) has the molecular formula C17H24BrFO2 and a molecular weight of 359.28 g/mol. Its IUPAC name is 1-(5-bromo-4-fluoro-2-methoxyphenyl)decan-1-one.

Molecular Properties

Compound Name1-(5-bromo-4-fluoro-2-methoxyphenyl)decan-1-one
PubChem CID103394166
Molecular FormulaC17H24BrFO2
Molecular Weight359.28 g/mol
Exact Mass358.09
IUPAC Name1-(5-bromo-4-fluoro-2-methoxyphenyl)decan-1-one
SMILESCCCCCCCCCC(=O)c1cc(Br)c(F)cc1OC
InChIInChI=1S/C17H24BrFO2/c1-3-4-5-6-7-8-9-10-16(20)13-11-14(18)15(19)12-17(13)21-2/h11-12H,3-10H2,1-2H3
InChIKeyBZYWKSGSTSIVNA-UHFFFAOYSA-N
XLogP5.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.28
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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1-(5-chloro-2-methoxyphenyl)octan-1-one
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1-(2-methoxy-5-methylphenyl)undecan-1-one
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CID 43161105
1-(5-chloro-2-methoxyphenyl)hexan-1-one
CID 57310982
1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(2,6-difluorophenyl)ethanone
CID 103394235
2-amino-1-(4-bromo-5-fluoro-2-methoxyphenyl)ethanone
CID 84806885
1-(3-fluoro-4-methoxyphenyl)undecan-1-one
CID 22446418
1-(4-fluoro-3-methoxyphenyl)decan-1-one
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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-fluoro-2-methoxyphenyl)decan-1-one?
The IUPAC name of 1-(5-bromo-4-fluoro-2-methoxyphenyl)decan-1-one (CID 103394166) is 1-(5-bromo-4-fluoro-2-methoxyphenyl)decan-1-one.
What is the SMILES notation for 1-(5-bromo-4-fluoro-2-methoxyphenyl)decan-1-one?
The canonical SMILES for 1-(5-bromo-4-fluoro-2-methoxyphenyl)decan-1-one is CCCCCCCCCC(=O)c1cc(Br)c(F)cc1OC.
What is the InChIKey of 1-(5-bromo-4-fluoro-2-methoxyphenyl)decan-1-one?
The InChIKey is BZYWKSGSTSIVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrFO2/c1-3-4-5-6-7-8-9-10-16(20)13-11-14(18)15(19)12-17(13)21-2/h11-12H,3-10H2,1-2H3.
What are the key properties of 1-(5-bromo-4-fluoro-2-methoxyphenyl)decan-1-one?
1-(5-bromo-4-fluoro-2-methoxyphenyl)decan-1-one has a molecular weight of 359.28 g/mol, XLogP of 5.92, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-fluoro-2-methoxyphenyl)decan-1-one is sourced from PubChem (CID 103394166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).