methyl 2-(4-fluoro-3-methoxybenzoyl)hexanoate

C15H19FO4 — CID 107922788

IUPACmethyl 2-(4-fluoro-3-methoxybenzoyl)hexanoate
SMILESCCCCC(C(=O)OC)C(=O)c1ccc(F)c(OC)c1
InChIInChI=1S/C15H19FO4/c1-4-5-6-11(15(18)20-3)14(17)10-7-8-12(16)13(9-10)19-2/h7-9,11H,4-6H2,1-3H3
InChIKeyDKNPFRUXKMREQG-UHFFFAOYSA-N
MW282.31 g/mol
LogP3.00
Rot. Bonds7

About methyl 2-(4-fluoro-3-methoxybenzoyl)hexanoate

methyl 2-(4-fluoro-3-methoxybenzoyl)hexanoate (PubChem CID 107922788) has the molecular formula C15H19FO4 and a molecular weight of 282.31 g/mol. Its IUPAC name is methyl 2-(4-fluoro-3-methoxybenzoyl)hexanoate.

Molecular Properties

Compound Namemethyl 2-(4-fluoro-3-methoxybenzoyl)hexanoate
PubChem CID107922788
Molecular FormulaC15H19FO4
Molecular Weight282.31 g/mol
Exact Mass282.13
IUPAC Namemethyl 2-(4-fluoro-3-methoxybenzoyl)hexanoate
SMILESCCCCC(C(=O)OC)C(=O)c1ccc(F)c(OC)c1
InChIInChI=1S/C15H19FO4/c1-4-5-6-11(15(18)20-3)14(17)10-7-8-12(16)13(9-10)19-2/h7-9,11H,4-6H2,1-3H3
InChIKeyDKNPFRUXKMREQG-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-chloro-1-(4-fluoro-3-methoxyphenyl)butan-1-one
CID 146006827
2,2-dichloro-1-(4-fluoro-3-methoxyphenyl)ethanone
CID 130882674
ethyl 2-(3,4-dimethoxybenzoyl)pentanoate
CID 83038880
1-(4-fluoro-3-methoxyphenyl)decan-1-one
CID 114966463
1-(4-fluoro-3-methoxyphenyl)pentylhydrazine
CID 105293751
methyl 2-(2-bromo-5-fluorobenzoyl)hexanoate
CID 107923909
N-(4-aminobutan-2-yl)-4-fluoro-3-methoxybenzamide
CID 81283356
ethyl 2-(4-fluoro-3-methylbenzoyl)pentanoate
CID 83049789
3-amino-1-(4-fluoro-3-methoxyphenyl)propan-1-one
CID 82606899
1-(4-fluoro-3-methoxyphenyl)-2-phenylbutan-1-one
CID 146006844
N-[2-(2-chloroethyl)pentyl]-4-fluoro-3-methoxybenzamide
CID 106117497
methyl 2-bromo-3-[(4-fluoro-3-methoxybenzoyl)amino]propanoate
CID 103492375

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-fluoro-3-methoxybenzoyl)hexanoate?
The IUPAC name of methyl 2-(4-fluoro-3-methoxybenzoyl)hexanoate (CID 107922788) is methyl 2-(4-fluoro-3-methoxybenzoyl)hexanoate.
What is the SMILES notation for methyl 2-(4-fluoro-3-methoxybenzoyl)hexanoate?
The canonical SMILES for methyl 2-(4-fluoro-3-methoxybenzoyl)hexanoate is CCCCC(C(=O)OC)C(=O)c1ccc(F)c(OC)c1.
What is the InChIKey of methyl 2-(4-fluoro-3-methoxybenzoyl)hexanoate?
The InChIKey is DKNPFRUXKMREQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FO4/c1-4-5-6-11(15(18)20-3)14(17)10-7-8-12(16)13(9-10)19-2/h7-9,11H,4-6H2,1-3H3.
What are the key properties of methyl 2-(4-fluoro-3-methoxybenzoyl)hexanoate?
methyl 2-(4-fluoro-3-methoxybenzoyl)hexanoate has a molecular weight of 282.31 g/mol, XLogP of 3.00, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-fluoro-3-methoxybenzoyl)hexanoate is sourced from PubChem (CID 107922788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).