[4-(4-fluorobenzoyl)phenyl] 2-(2-ethoxyethoxy)propanoate

C20H21FO5 — CID 60546100

IUPAC[4-(4-fluorobenzoyl)phenyl] 2-(2-ethoxyethoxy)propanoate
SMILESCCOCCOC(C)C(=O)Oc1ccc(C(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H21FO5/c1-3-24-12-13-25-14(2)20(23)26-18-10-6-16(7-11-18)19(22)15-4-8-17(21)9-5-15/h4-11,14H,3,12-13H2,1-2H3
InChIKeyIDUGJUUWIYNGGW-UHFFFAOYSA-N
MW360.38 g/mol
LogP3.40
Rot. Bonds9

About [4-(4-fluorobenzoyl)phenyl] 2-(2-ethoxyethoxy)propanoate

[4-(4-fluorobenzoyl)phenyl] 2-(2-ethoxyethoxy)propanoate (PubChem CID 60546100) has the molecular formula C20H21FO5 and a molecular weight of 360.38 g/mol. Its IUPAC name is [4-(4-fluorobenzoyl)phenyl] 2-(2-ethoxyethoxy)propanoate.

Molecular Properties

Compound Name[4-(4-fluorobenzoyl)phenyl] 2-(2-ethoxyethoxy)propanoate
PubChem CID60546100
Molecular FormulaC20H21FO5
Molecular Weight360.38 g/mol
Exact Mass360.14
IUPAC Name[4-(4-fluorobenzoyl)phenyl] 2-(2-ethoxyethoxy)propanoate
SMILESCCOCCOC(C)C(=O)Oc1ccc(C(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H21FO5/c1-3-24-12-13-25-14(2)20(23)26-18-10-6-16(7-11-18)19(22)15-4-8-17(21)9-5-15/h4-11,14H,3,12-13H2,1-2H3
InChIKeyIDUGJUUWIYNGGW-UHFFFAOYSA-N
XLogP3.40
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-(4-fluorobenzoyl)phenyl] 2-[(3-methoxyphenyl)methoxy]propanoate
CID 55684573
N-(2,4-difluorophenyl)-2-(2-ethoxyethoxy)propanamide
CID 60546289
bis[4-[2-(2-ethoxyethoxy)propyl]phenyl] carbonate
CID 90300556
[4-(4-fluorobenzoyl)phenyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate
CID 7931102
(4-fluorophenyl) (2S)-2-(3,4-dimethylphenoxy)propanoate
CID 891244
bis[4-[(2R)-butan-2-yl]oxyphenyl]methanone
CID 131860857
1-O-[(2S)-2-methylbutyl] 4-O-[4-[4-[(2S)-2-propoxypropanoyl]oxyphenyl]phenyl] benzene-1,4-dicarboxylate
CID 14645456
[4-[2-(4-fluorophenyl)ethynyl]phenyl] 2-methylbutanoate
CID 22976491
[4-(4-fluorobenzoyl)phenyl] 4-methylbenzoate
CID 2713488
(4-fluorophenyl) 2-(2-fluorophenoxy)propanoate
CID 3324699
(2R)-2-[4-(4-fluorobenzoyl)phenoxy]-N-(2,2,2-trifluoroethyl)propanamide
CID 95593436
N-(2-amino-5-methoxyphenyl)-2-(2-ethoxyethoxy)propanamide
CID 119421324

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorobenzoyl)phenyl] 2-(2-ethoxyethoxy)propanoate?
The IUPAC name of [4-(4-fluorobenzoyl)phenyl] 2-(2-ethoxyethoxy)propanoate (CID 60546100) is [4-(4-fluorobenzoyl)phenyl] 2-(2-ethoxyethoxy)propanoate.
What is the SMILES notation for [4-(4-fluorobenzoyl)phenyl] 2-(2-ethoxyethoxy)propanoate?
The canonical SMILES for [4-(4-fluorobenzoyl)phenyl] 2-(2-ethoxyethoxy)propanoate is CCOCCOC(C)C(=O)Oc1ccc(C(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of [4-(4-fluorobenzoyl)phenyl] 2-(2-ethoxyethoxy)propanoate?
The InChIKey is IDUGJUUWIYNGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FO5/c1-3-24-12-13-25-14(2)20(23)26-18-10-6-16(7-11-18)19(22)15-4-8-17(21)9-5-15/h4-11,14H,3,12-13H2,1-2H3.
What are the key properties of [4-(4-fluorobenzoyl)phenyl] 2-(2-ethoxyethoxy)propanoate?
[4-(4-fluorobenzoyl)phenyl] 2-(2-ethoxyethoxy)propanoate has a molecular weight of 360.38 g/mol, XLogP of 3.40, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorobenzoyl)phenyl] 2-(2-ethoxyethoxy)propanoate is sourced from PubChem (CID 60546100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).