methyl 4-[2-fluoro-6-(methoxymethoxy)benzoyl]benzoate

C17H15FO5 — CID 54443547

IUPACmethyl 4-[2-fluoro-6-(methoxymethoxy)benzoyl]benzoate
SMILESCOCOc1cccc(F)c1C(=O)c1ccc(C(=O)OC)cc1
InChIInChI=1S/C17H15FO5/c1-21-10-23-14-5-3-4-13(18)15(14)16(19)11-6-8-12(9-7-11)17(20)22-2/h3-9H,10H2,1-2H3
InChIKeyWPVSIJFHRSWYHA-UHFFFAOYSA-N
MW318.30 g/mol
LogP2.83
Rot. Bonds6

About methyl 4-[2-fluoro-6-(methoxymethoxy)benzoyl]benzoate

methyl 4-[2-fluoro-6-(methoxymethoxy)benzoyl]benzoate (PubChem CID 54443547) has the molecular formula C17H15FO5 and a molecular weight of 318.30 g/mol. Its IUPAC name is methyl 4-[2-fluoro-6-(methoxymethoxy)benzoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-fluoro-6-(methoxymethoxy)benzoyl]benzoate
PubChem CID54443547
Molecular FormulaC17H15FO5
Molecular Weight318.30 g/mol
Exact Mass318.09
IUPAC Namemethyl 4-[2-fluoro-6-(methoxymethoxy)benzoyl]benzoate
SMILESCOCOc1cccc(F)c1C(=O)c1ccc(C(=O)OC)cc1
InChIInChI=1S/C17H15FO5/c1-21-10-23-14-5-3-4-13(18)15(14)16(19)11-6-8-12(9-7-11)17(20)22-2/h3-9H,10H2,1-2H3
InChIKeyWPVSIJFHRSWYHA-UHFFFAOYSA-N
XLogP2.83
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[2-fluoro-6-(methoxymethoxy)phenyl]benzoate
CID 90379297
methyl 2-chloro-6-(methoxymethoxy)benzoate
CID 139356689
methyl 4-[2,3-difluoro-6-[2-(2-methoxyethoxy)ethoxy]benzoyl]benzoate
CID 126574853
(2-fluoro-6-methoxyphenyl)-(4-phenylphenyl)methanone
CID 146005289
4-[2-fluoro-6-(methoxymethoxy)-3-methylbenzoyl]benzoic acid
CID 54034461
methyl 4-[2-(bromomethyl)-3-fluorobenzoyl]benzoate
CID 67156122
2-fluoro-3-(methoxymethoxy)phenol
CID 125115962
(3,5-difluorophenyl)-(2-fluoro-6-methoxyphenyl)methanone
CID 79020458
CID 170307924
CID 170307924
[(3R,4R)-3-[[3-methoxy-4-(methoxymethoxy)benzoyl]amino]-1-[(2-methylpropan-2-yl)oxycarbonyloxy]azepan-4-yl] 4-[2-fluoro-6-(methoxymethoxy)benzoyl]benzoate
CID 70283068
(4-chloro-3-methoxyphenyl)-(2,6-difluorophenyl)methanone
CID 79697438
(2-fluoro-6-methoxyphenyl)-(2-hydroxy-6-methoxyphenyl)methanone
CID 14629523

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-fluoro-6-(methoxymethoxy)benzoyl]benzoate?
The IUPAC name of methyl 4-[2-fluoro-6-(methoxymethoxy)benzoyl]benzoate (CID 54443547) is methyl 4-[2-fluoro-6-(methoxymethoxy)benzoyl]benzoate.
What is the SMILES notation for methyl 4-[2-fluoro-6-(methoxymethoxy)benzoyl]benzoate?
The canonical SMILES for methyl 4-[2-fluoro-6-(methoxymethoxy)benzoyl]benzoate is COCOc1cccc(F)c1C(=O)c1ccc(C(=O)OC)cc1.
What is the InChIKey of methyl 4-[2-fluoro-6-(methoxymethoxy)benzoyl]benzoate?
The InChIKey is WPVSIJFHRSWYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FO5/c1-21-10-23-14-5-3-4-13(18)15(14)16(19)11-6-8-12(9-7-11)17(20)22-2/h3-9H,10H2,1-2H3.
What are the key properties of methyl 4-[2-fluoro-6-(methoxymethoxy)benzoyl]benzoate?
methyl 4-[2-fluoro-6-(methoxymethoxy)benzoyl]benzoate has a molecular weight of 318.30 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-fluoro-6-(methoxymethoxy)benzoyl]benzoate is sourced from PubChem (CID 54443547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).