4-oxopentyl 2-(4-fluorophenoxy)-2-methylpropanoate

C15H19FO4 — CID 78846639

IUPAC4-oxopentyl 2-(4-fluorophenoxy)-2-methylpropanoate
SMILESCC(=O)CCCOC(=O)C(C)(C)Oc1ccc(F)cc1
InChIInChI=1S/C15H19FO4/c1-11(17)5-4-10-19-14(18)15(2,3)20-13-8-6-12(16)7-9-13/h6-9H,4-5,10H2,1-3H3
InChIKeyKFYYQDMPSMMLEM-UHFFFAOYSA-N
MW282.31 g/mol
LogP2.90
Rot. Bonds7

About 4-oxopentyl 2-(4-fluorophenoxy)-2-methylpropanoate

4-oxopentyl 2-(4-fluorophenoxy)-2-methylpropanoate (PubChem CID 78846639) has the molecular formula C15H19FO4 and a molecular weight of 282.31 g/mol. Its IUPAC name is 4-oxopentyl 2-(4-fluorophenoxy)-2-methylpropanoate.

Molecular Properties

Compound Name4-oxopentyl 2-(4-fluorophenoxy)-2-methylpropanoate
PubChem CID78846639
Molecular FormulaC15H19FO4
Molecular Weight282.31 g/mol
Exact Mass282.13
IUPAC Name4-oxopentyl 2-(4-fluorophenoxy)-2-methylpropanoate
SMILESCC(=O)CCCOC(=O)C(C)(C)Oc1ccc(F)cc1
InChIInChI=1S/C15H19FO4/c1-11(17)5-4-10-19-14(18)15(2,3)20-13-8-6-12(16)7-9-13/h6-9H,4-5,10H2,1-3H3
InChIKeyKFYYQDMPSMMLEM-UHFFFAOYSA-N
XLogP2.90
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-oxopentyl 2-(4-fluorophenoxy)-2-methylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-(4-fluorophenoxy)-2-methylpropanoyl]oxypropyl 2-(4-fluorophenoxy)-2-methylpropanoate
CID 70876323
6-(4-fluorophenoxy)hexan-2-one
CID 43793627
5-[4-(trifluoromethoxy)phenoxy]pentan-2-one
CID 113497431
2-(4-fluorophenoxy)-2-methylpropanehydrazide
CID 43236623
(3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-(4-fluorophenoxy)-2-methylpropanoate
CID 78841391
[2-(4-methylsulfonylphenyl)-2-oxoethyl] 2-(4-fluorophenoxy)-2-methylpropanoate
CID 9100954
(6-chloro-3-pyridinyl)methyl 2-(4-fluorophenoxy)-2-methylpropanoate
CID 78846147
(2,3,4,5,6-pentafluorophenyl)methyl 2-(4-chlorophenoxy)-2-methylpropanoate
CID 524789
ethyl 2-[4-[4-(1-ethoxy-2-methyl-1-oxopropan-2-yl)oxyphenyl]phenoxy]-2-methylpropanoate
CID 3063023
4-(4-fluorophenoxy)butanamide
CID 43244704
4-oxopentyl 2,2-dimethylbutanoate
CID 167427927
9-bromononyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate
CID 141493265

Frequently Asked Questions

What is the IUPAC name of 4-oxopentyl 2-(4-fluorophenoxy)-2-methylpropanoate?
The IUPAC name of 4-oxopentyl 2-(4-fluorophenoxy)-2-methylpropanoate (CID 78846639) is 4-oxopentyl 2-(4-fluorophenoxy)-2-methylpropanoate.
What is the SMILES notation for 4-oxopentyl 2-(4-fluorophenoxy)-2-methylpropanoate?
The canonical SMILES for 4-oxopentyl 2-(4-fluorophenoxy)-2-methylpropanoate is CC(=O)CCCOC(=O)C(C)(C)Oc1ccc(F)cc1.
What is the InChIKey of 4-oxopentyl 2-(4-fluorophenoxy)-2-methylpropanoate?
The InChIKey is KFYYQDMPSMMLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FO4/c1-11(17)5-4-10-19-14(18)15(2,3)20-13-8-6-12(16)7-9-13/h6-9H,4-5,10H2,1-3H3.
What are the key properties of 4-oxopentyl 2-(4-fluorophenoxy)-2-methylpropanoate?
4-oxopentyl 2-(4-fluorophenoxy)-2-methylpropanoate has a molecular weight of 282.31 g/mol, XLogP of 2.90, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxopentyl 2-(4-fluorophenoxy)-2-methylpropanoate is sourced from PubChem (CID 78846639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).