methyl 4-fluoro-3-[(4-fluorophenyl)methoxy]benzoate

C15H12F2O3 — CID 86725638

IUPACmethyl 4-fluoro-3-[(4-fluorophenyl)methoxy]benzoate
SMILESCOC(=O)c1ccc(F)c(OCc2ccc(F)cc2)c1
InChIInChI=1S/C15H12F2O3/c1-19-15(18)11-4-7-13(17)14(8-11)20-9-10-2-5-12(16)6-3-10/h2-8H,9H2,1H3
InChIKeyRPHKNPWYEUJWCL-UHFFFAOYSA-N
MW278.25 g/mol
LogP3.33
Rot. Bonds4

About methyl 4-fluoro-3-[(4-fluorophenyl)methoxy]benzoate

methyl 4-fluoro-3-[(4-fluorophenyl)methoxy]benzoate (PubChem CID 86725638) has the molecular formula C15H12F2O3 and a molecular weight of 278.25 g/mol. Its IUPAC name is methyl 4-fluoro-3-[(4-fluorophenyl)methoxy]benzoate.

Molecular Properties

Compound Namemethyl 4-fluoro-3-[(4-fluorophenyl)methoxy]benzoate
PubChem CID86725638
Molecular FormulaC15H12F2O3
Molecular Weight278.25 g/mol
Exact Mass278.08
IUPAC Namemethyl 4-fluoro-3-[(4-fluorophenyl)methoxy]benzoate
SMILESCOC(=O)c1ccc(F)c(OCc2ccc(F)cc2)c1
InChIInChI=1S/C15H12F2O3/c1-19-15(18)11-4-7-13(17)14(8-11)20-9-10-2-5-12(16)6-3-10/h2-8H,9H2,1H3
InChIKeyRPHKNPWYEUJWCL-UHFFFAOYSA-N
XLogP3.33
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.25
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-amino-3-[(4-chlorophenyl)methoxy]benzoate
CID 43380184
methyl 4-[(4-amino-2-fluorophenoxy)methyl]benzoate
CID 43259245
methyl 4-fluoro-3-prop-2-enoxybenzoate
CID 67441936
methyl 6-[(4-fluorophenyl)methoxy]pyridine-3-carboxylate
CID 58368225
2-bromo-1-[4-[(2,5-difluorophenoxy)methyl]phenyl]-2,2-difluoroethanone
CID 146006185
methyl 4-fluoro-3-(2-methylprop-2-enoxy)benzoate
CID 58566490
1-[3-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]ethanone
CID 112689439
methyl 4-[(4-chloro-2-methylphenoxy)methyl]benzoate
CID 28825626
methyl 3-fluoro-4-[(2-fluorophenoxy)methyl]benzoate
CID 71089392
methyl 2-[(4-fluorophenyl)methoxy]-5-iodobenzoate
CID 67106887
methyl 4-[[5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carbonyl]amino]benzoate
CID 42227239
methyl 2-[(4-methoxycarbonylphenyl)methoxy]benzoate
CID 7894205

Frequently Asked Questions

What is the IUPAC name of methyl 4-fluoro-3-[(4-fluorophenyl)methoxy]benzoate?
The IUPAC name of methyl 4-fluoro-3-[(4-fluorophenyl)methoxy]benzoate (CID 86725638) is methyl 4-fluoro-3-[(4-fluorophenyl)methoxy]benzoate.
What is the SMILES notation for methyl 4-fluoro-3-[(4-fluorophenyl)methoxy]benzoate?
The canonical SMILES for methyl 4-fluoro-3-[(4-fluorophenyl)methoxy]benzoate is COC(=O)c1ccc(F)c(OCc2ccc(F)cc2)c1.
What is the InChIKey of methyl 4-fluoro-3-[(4-fluorophenyl)methoxy]benzoate?
The InChIKey is RPHKNPWYEUJWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O3/c1-19-15(18)11-4-7-13(17)14(8-11)20-9-10-2-5-12(16)6-3-10/h2-8H,9H2,1H3.
What are the key properties of methyl 4-fluoro-3-[(4-fluorophenyl)methoxy]benzoate?
methyl 4-fluoro-3-[(4-fluorophenyl)methoxy]benzoate has a molecular weight of 278.25 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-fluoro-3-[(4-fluorophenyl)methoxy]benzoate is sourced from PubChem (CID 86725638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).