[4-[2-[2-[2-(fluoromethoxy)but-3-enoxy]ethoxy]ethoxy]phenyl]-phenylmethanone

C22H25FO5 — CID 141444008

IUPAC[4-[2-[2-[2-(fluoromethoxy)but-3-enoxy]ethoxy]ethoxy]phenyl]-phenylmethanone
SMILESC=CC(COCCOCCOc1ccc(C(=O)c2ccccc2)cc1)OCF
InChIInChI=1S/C22H25FO5/c1-2-20(28-17-23)16-26-13-12-25-14-15-27-21-10-8-19(9-11-21)22(24)18-6-4-3-5-7-18/h2-11,20H,1,12-17H2
InChIKeyPVAOURFAVXOHKK-UHFFFAOYSA-N
MW388.44 g/mol
LogP3.83
Rot. Bonds14

About [4-[2-[2-[2-(fluoromethoxy)but-3-enoxy]ethoxy]ethoxy]phenyl]-phenylmethanone

[4-[2-[2-[2-(fluoromethoxy)but-3-enoxy]ethoxy]ethoxy]phenyl]-phenylmethanone (PubChem CID 141444008) has the molecular formula C22H25FO5 and a molecular weight of 388.44 g/mol. Its IUPAC name is [4-[2-[2-[2-(fluoromethoxy)but-3-enoxy]ethoxy]ethoxy]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-[2-[2-[2-(fluoromethoxy)but-3-enoxy]ethoxy]ethoxy]phenyl]-phenylmethanone
PubChem CID141444008
Molecular FormulaC22H25FO5
Molecular Weight388.44 g/mol
Exact Mass388.17
IUPAC Name[4-[2-[2-[2-(fluoromethoxy)but-3-enoxy]ethoxy]ethoxy]phenyl]-phenylmethanone
SMILESC=CC(COCCOCCOc1ccc(C(=O)c2ccccc2)cc1)OCF
InChIInChI=1S/C22H25FO5/c1-2-20(28-17-23)16-26-13-12-25-14-15-27-21-10-8-19(9-11-21)22(24)18-6-4-3-5-7-18/h2-11,20H,1,12-17H2
InChIKeyPVAOURFAVXOHKK-UHFFFAOYSA-N
XLogP3.83
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[2-[2-[2-(fluoromethoxy)but-3-enoxy]ethoxy]ethoxy]benzoyl]benzamide
CID 141394588
2-[2-[1-[2-(4-benzoylphenoxy)ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate
CID 134268276
[4-[2-(4-bromophenoxy)ethoxy]phenyl]-phenylmethanone
CID 7717760
[4-[8-(4-benzoylphenoxy)octoxy]phenyl]-phenylmethanone
CID 134886756
[4-(2-aminooxyethoxy)phenyl]-phenylmethanone
CID 122389379
[4-[2-(3-bromophenoxy)ethoxy]phenyl]-phenylmethanone
CID 7717731
[4-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]phenyl]-phenylmethanone
CID 165391674
ethenyl 2-(4-benzoylphenoxy)acetate
CID 154092320
4-[3-[2-(4-benzoylphenoxy)acetyl]oxy-2-hydroxypropoxy]butyl prop-2-enoate
CID 58385532
[4-[3-[3-[3-(4-benzoylphenoxy)propyl]-1-bicyclo[1.1.1]pentanyl]propoxy]phenyl]-phenylmethanone
CID 5250881
4-[2-[2-(2-fluoro-1-hydroxyprop-2-enoxy)ethoxy]ethoxy]benzoic acid
CID 129146696
[4-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]phenyl]-(4-prop-2-ynoxyphenyl)methanone
CID 131801564

Frequently Asked Questions

What is the IUPAC name of [4-[2-[2-[2-(fluoromethoxy)but-3-enoxy]ethoxy]ethoxy]phenyl]-phenylmethanone?
The IUPAC name of [4-[2-[2-[2-(fluoromethoxy)but-3-enoxy]ethoxy]ethoxy]phenyl]-phenylmethanone (CID 141444008) is [4-[2-[2-[2-(fluoromethoxy)but-3-enoxy]ethoxy]ethoxy]phenyl]-phenylmethanone.
What is the SMILES notation for [4-[2-[2-[2-(fluoromethoxy)but-3-enoxy]ethoxy]ethoxy]phenyl]-phenylmethanone?
The canonical SMILES for [4-[2-[2-[2-(fluoromethoxy)but-3-enoxy]ethoxy]ethoxy]phenyl]-phenylmethanone is C=CC(COCCOCCOc1ccc(C(=O)c2ccccc2)cc1)OCF.
What is the InChIKey of [4-[2-[2-[2-(fluoromethoxy)but-3-enoxy]ethoxy]ethoxy]phenyl]-phenylmethanone?
The InChIKey is PVAOURFAVXOHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FO5/c1-2-20(28-17-23)16-26-13-12-25-14-15-27-21-10-8-19(9-11-21)22(24)18-6-4-3-5-7-18/h2-11,20H,1,12-17H2.
What are the key properties of [4-[2-[2-[2-(fluoromethoxy)but-3-enoxy]ethoxy]ethoxy]phenyl]-phenylmethanone?
[4-[2-[2-[2-(fluoromethoxy)but-3-enoxy]ethoxy]ethoxy]phenyl]-phenylmethanone has a molecular weight of 388.44 g/mol, XLogP of 3.83, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[2-[2-(fluoromethoxy)but-3-enoxy]ethoxy]ethoxy]phenyl]-phenylmethanone is sourced from PubChem (CID 141444008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).