methyl 2-fluoro-6-(phenoxymethyl)benzoate

C15H13FO3 — CID 150404224

IUPACmethyl 2-fluoro-6-(phenoxymethyl)benzoate
SMILESCOC(=O)c1c(F)cccc1COc1ccccc1
InChIInChI=1S/C15H13FO3/c1-18-15(17)14-11(6-5-9-13(14)16)10-19-12-7-3-2-4-8-12/h2-9H,10H2,1H3
InChIKeyHEKIBISJHHOZSW-UHFFFAOYSA-N
MW260.26 g/mol
LogP3.19
Rot. Bonds4

About methyl 2-fluoro-6-(phenoxymethyl)benzoate

methyl 2-fluoro-6-(phenoxymethyl)benzoate (PubChem CID 150404224) has the molecular formula C15H13FO3 and a molecular weight of 260.26 g/mol. Its IUPAC name is methyl 2-fluoro-6-(phenoxymethyl)benzoate.

Molecular Properties

Compound Namemethyl 2-fluoro-6-(phenoxymethyl)benzoate
PubChem CID150404224
Molecular FormulaC15H13FO3
Molecular Weight260.26 g/mol
Exact Mass260.08
IUPAC Namemethyl 2-fluoro-6-(phenoxymethyl)benzoate
SMILESCOC(=O)c1c(F)cccc1COc1ccccc1
InChIInChI=1S/C15H13FO3/c1-18-15(17)14-11(6-5-9-13(14)16)10-19-12-7-3-2-4-8-12/h2-9H,10H2,1H3
InChIKeyHEKIBISJHHOZSW-UHFFFAOYSA-N
XLogP3.19
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-methyl-6-[(3-phenylmethoxyphenoxy)methyl]benzoate
CID 22241445
N-[2-(2-fluorophenyl)ethyl]-2-(phenoxymethyl)benzamide
CID 24512894
methyl 2-amino-6-[(3,5-difluorophenoxy)methyl]benzoate
CID 104825483
methyl 2-amino-6-[(4-bromo-3-fluorophenoxy)methyl]benzoate
CID 104825528
methyl 3-[4-[(2-fluorophenyl)methoxy]phenyl]-2,3-dihydroxypropanoate
CID 171865239
methyl 2,6-difluorobenzoate;tricosane
CID 174987111
methyl 2-amino-6-[(2-chloro-6-fluorophenoxy)methyl]benzoate
CID 104825565
3-[(2-fluorophenyl)methoxy]-N-methylbenzamide
CID 13176420
methyl 2-[[3-[(4-chlorophenyl)methoxy]phenoxy]methyl]-6-methylbenzoate
CID 22241525
2-[3-[(2-methoxycarbonylphenyl)methoxy]phenyl]acetic acid
CID 68872970
methyl 3-[4-[(2-fluorophenyl)methoxy]phenyl]prop-2-enoate
CID 131847800
methyl 2-amino-6-[(3-chlorophenoxy)methyl]benzoate
CID 104825327

Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoro-6-(phenoxymethyl)benzoate?
The IUPAC name of methyl 2-fluoro-6-(phenoxymethyl)benzoate (CID 150404224) is methyl 2-fluoro-6-(phenoxymethyl)benzoate.
What is the SMILES notation for methyl 2-fluoro-6-(phenoxymethyl)benzoate?
The canonical SMILES for methyl 2-fluoro-6-(phenoxymethyl)benzoate is COC(=O)c1c(F)cccc1COc1ccccc1.
What is the InChIKey of methyl 2-fluoro-6-(phenoxymethyl)benzoate?
The InChIKey is HEKIBISJHHOZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO3/c1-18-15(17)14-11(6-5-9-13(14)16)10-19-12-7-3-2-4-8-12/h2-9H,10H2,1H3.
What are the key properties of methyl 2-fluoro-6-(phenoxymethyl)benzoate?
methyl 2-fluoro-6-(phenoxymethyl)benzoate has a molecular weight of 260.26 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoro-6-(phenoxymethyl)benzoate is sourced from PubChem (CID 150404224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).