methyl 5-ethyl-2-fluoro-4-(methoxymethoxy)benzoate

C12H15FO4 — CID 67979097

IUPACmethyl 5-ethyl-2-fluoro-4-(methoxymethoxy)benzoate
SMILESCCc1cc(C(=O)OC)c(F)cc1OCOC
InChIInChI=1S/C12H15FO4/c1-4-8-5-9(12(14)16-3)10(13)6-11(8)17-7-15-2/h5-6H,4,7H2,1-3H3
InChIKeyRIHJWSBLDWCONO-UHFFFAOYSA-N
MW242.25 g/mol
LogP2.16
Rot. Bonds5

About methyl 5-ethyl-2-fluoro-4-(methoxymethoxy)benzoate

methyl 5-ethyl-2-fluoro-4-(methoxymethoxy)benzoate (PubChem CID 67979097) has the molecular formula C12H15FO4 and a molecular weight of 242.25 g/mol. Its IUPAC name is methyl 5-ethyl-2-fluoro-4-(methoxymethoxy)benzoate.

Molecular Properties

Compound Namemethyl 5-ethyl-2-fluoro-4-(methoxymethoxy)benzoate
PubChem CID67979097
Molecular FormulaC12H15FO4
Molecular Weight242.25 g/mol
Exact Mass242.10
IUPAC Namemethyl 5-ethyl-2-fluoro-4-(methoxymethoxy)benzoate
SMILESCCc1cc(C(=O)OC)c(F)cc1OCOC
InChIInChI=1S/C12H15FO4/c1-4-8-5-9(12(14)16-3)10(13)6-11(8)17-7-15-2/h5-6H,4,7H2,1-3H3
InChIKeyRIHJWSBLDWCONO-UHFFFAOYSA-N
XLogP2.16
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-fluoro-5-iodo-4-(methoxymethoxy)benzoate
CID 141498075
methyl 2-fluoro-4,5-dimethoxybenzoate
CID 86155175
methyl 2,5-difluoro-4-octoxybenzoate
CID 59683709
2-ethyl-4-fluoro-1-(methoxymethoxy)benzene
CID 177170323
methyl 5-chloro-2,4-bis(methoxymethoxy)benzoate
CID 57440512
1-[4,5-difluoro-2-(methoxymethoxy)phenyl]-2,2,2-trifluoroethanone
CID 164895048
methyl 5-amino-2-(methoxymethoxy)benzoate
CID 106955744
2-(5-fluoro-2-iodo-4-methoxycarbonylphenyl)acetic acid
CID 86703767
methyl 2-bromo-4-fluoro-5-(hydroxymethyl)benzoate
CID 118186621
methoxymethyl 5-cyano-4-fluoro-2-(methoxymethoxy)benzoate
CID 19701630
methyl 5-bromo-4-(cyclopropylmethoxy)-2-fluorobenzoate
CID 122623725
ethyl 2-fluoro-4,5-dimethoxybenzoate
CID 163198249

Frequently Asked Questions

What is the IUPAC name of methyl 5-ethyl-2-fluoro-4-(methoxymethoxy)benzoate?
The IUPAC name of methyl 5-ethyl-2-fluoro-4-(methoxymethoxy)benzoate (CID 67979097) is methyl 5-ethyl-2-fluoro-4-(methoxymethoxy)benzoate.
What is the SMILES notation for methyl 5-ethyl-2-fluoro-4-(methoxymethoxy)benzoate?
The canonical SMILES for methyl 5-ethyl-2-fluoro-4-(methoxymethoxy)benzoate is CCc1cc(C(=O)OC)c(F)cc1OCOC.
What is the InChIKey of methyl 5-ethyl-2-fluoro-4-(methoxymethoxy)benzoate?
The InChIKey is RIHJWSBLDWCONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO4/c1-4-8-5-9(12(14)16-3)10(13)6-11(8)17-7-15-2/h5-6H,4,7H2,1-3H3.
What are the key properties of methyl 5-ethyl-2-fluoro-4-(methoxymethoxy)benzoate?
methyl 5-ethyl-2-fluoro-4-(methoxymethoxy)benzoate has a molecular weight of 242.25 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-ethyl-2-fluoro-4-(methoxymethoxy)benzoate is sourced from PubChem (CID 67979097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).