1-[5-fluoro-2-[2-(2-methoxyethoxy)ethoxy]-4-methylphenyl]ethanone

C14H19FO4 — CID 113427003

IUPAC1-[5-fluoro-2-[2-(2-methoxyethoxy)ethoxy]-4-methylphenyl]ethanone
SMILESCOCCOCCOc1cc(C)c(F)cc1C(C)=O
InChIInChI=1S/C14H19FO4/c1-10-8-14(12(11(2)16)9-13(10)15)19-7-6-18-5-4-17-3/h8-9H,4-7H2,1-3H3
InChIKeyHEACRSAMABBILD-UHFFFAOYSA-N
MW270.30 g/mol
LogP2.38
Rot. Bonds8

About 1-[5-fluoro-2-[2-(2-methoxyethoxy)ethoxy]-4-methylphenyl]ethanone

1-[5-fluoro-2-[2-(2-methoxyethoxy)ethoxy]-4-methylphenyl]ethanone (PubChem CID 113427003) has the molecular formula C14H19FO4 and a molecular weight of 270.30 g/mol. Its IUPAC name is 1-[5-fluoro-2-[2-(2-methoxyethoxy)ethoxy]-4-methylphenyl]ethanone.

Molecular Properties

Compound Name1-[5-fluoro-2-[2-(2-methoxyethoxy)ethoxy]-4-methylphenyl]ethanone
PubChem CID113427003
Molecular FormulaC14H19FO4
Molecular Weight270.30 g/mol
Exact Mass270.13
IUPAC Name1-[5-fluoro-2-[2-(2-methoxyethoxy)ethoxy]-4-methylphenyl]ethanone
SMILESCOCCOCCOc1cc(C)c(F)cc1C(C)=O
InChIInChI=1S/C14H19FO4/c1-10-8-14(12(11(2)16)9-13(10)15)19-7-6-18-5-4-17-3/h8-9H,4-7H2,1-3H3
InChIKeyHEACRSAMABBILD-UHFFFAOYSA-N
XLogP2.38
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[5-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanone
CID 104563243
1-fluoro-5-methoxy-4-(2-methoxyethoxy)-2-methylbenzene
CID 20785388
1-[4-bromo-2-[2-(2-methoxyethoxy)ethoxy]phenyl]ethanone
CID 113427004
2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4,5-dimethylphenoxy]ethoxy]ethoxy]ethanol
CID 59950660
1-[2-(2-butoxyethoxy)-5-fluorophenyl]ethanone
CID 29003149
5-fluoro-2-(2-methoxyethoxy)-4-methylbenzonitrile
CID 67585577
1-fluoro-5-(2-methoxyethoxy)-2-methyl-4-(trifluoromethyl)benzene
CID 154985854
2-fluoro-4-(2-methoxyethoxy)-1-methylbenzene
CID 21363868
2-fluoro-4-[2-(3-methoxypropoxy)ethoxy]-1-methylbenzene
CID 107171281
2-amino-4-fluoro-5-[3-(2-methoxyethoxy)propoxy]benzoic acid
CID 103403914
1-[3,5-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-4-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]phenyl]ethanone
CID 143391101
1-[5-fluoro-2-[2-(4-fluorophenoxy)ethoxy]phenyl]ethanone
CID 112787668

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-[2-(2-methoxyethoxy)ethoxy]-4-methylphenyl]ethanone?
The IUPAC name of 1-[5-fluoro-2-[2-(2-methoxyethoxy)ethoxy]-4-methylphenyl]ethanone (CID 113427003) is 1-[5-fluoro-2-[2-(2-methoxyethoxy)ethoxy]-4-methylphenyl]ethanone.
What is the SMILES notation for 1-[5-fluoro-2-[2-(2-methoxyethoxy)ethoxy]-4-methylphenyl]ethanone?
The canonical SMILES for 1-[5-fluoro-2-[2-(2-methoxyethoxy)ethoxy]-4-methylphenyl]ethanone is COCCOCCOc1cc(C)c(F)cc1C(C)=O.
What is the InChIKey of 1-[5-fluoro-2-[2-(2-methoxyethoxy)ethoxy]-4-methylphenyl]ethanone?
The InChIKey is HEACRSAMABBILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO4/c1-10-8-14(12(11(2)16)9-13(10)15)19-7-6-18-5-4-17-3/h8-9H,4-7H2,1-3H3.
What are the key properties of 1-[5-fluoro-2-[2-(2-methoxyethoxy)ethoxy]-4-methylphenyl]ethanone?
1-[5-fluoro-2-[2-(2-methoxyethoxy)ethoxy]-4-methylphenyl]ethanone has a molecular weight of 270.30 g/mol, XLogP of 2.38, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-[2-(2-methoxyethoxy)ethoxy]-4-methylphenyl]ethanone is sourced from PubChem (CID 113427003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).