methyl 2-fluoro-4-(3-fluoro-5-hydroxyphenyl)benzoate

C14H10F2O3 — CID 53219657

IUPACmethyl 2-fluoro-4-(3-fluoro-5-hydroxyphenyl)benzoate
SMILESCOC(=O)c1ccc(-c2cc(O)cc(F)c2)cc1F
InChIInChI=1S/C14H10F2O3/c1-19-14(18)12-3-2-8(6-13(12)16)9-4-10(15)7-11(17)5-9/h2-7,17H,1H3
InChIKeyJVGQAICILVMRSS-UHFFFAOYSA-N
MW264.23 g/mol
LogP3.12
Rot. Bonds2

About methyl 2-fluoro-4-(3-fluoro-5-hydroxyphenyl)benzoate

methyl 2-fluoro-4-(3-fluoro-5-hydroxyphenyl)benzoate (PubChem CID 53219657) has the molecular formula C14H10F2O3 and a molecular weight of 264.23 g/mol. Its IUPAC name is methyl 2-fluoro-4-(3-fluoro-5-hydroxyphenyl)benzoate.

Molecular Properties

Compound Namemethyl 2-fluoro-4-(3-fluoro-5-hydroxyphenyl)benzoate
PubChem CID53219657
Molecular FormulaC14H10F2O3
Molecular Weight264.23 g/mol
Exact Mass264.06
IUPAC Namemethyl 2-fluoro-4-(3-fluoro-5-hydroxyphenyl)benzoate
SMILESCOC(=O)c1ccc(-c2cc(O)cc(F)c2)cc1F
InChIInChI=1S/C14H10F2O3/c1-19-14(18)12-3-2-8(6-13(12)16)9-4-10(15)7-11(17)5-9/h2-7,17H,1H3
InChIKeyJVGQAICILVMRSS-UHFFFAOYSA-N
XLogP3.12
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-chloro-4-(3-fluoro-5-hydroxyphenyl)benzoate
CID 53219725
methyl 2-fluoro-4-(3-hydroxyphenyl)benzoate
CID 53218667
methyl 2-fluoro-4-(3-fluorophenyl)benzoate
CID 75488480
methyl 4-(2,5-difluorophenyl)-2-fluorobenzoate
CID 75488422
methyl 2-fluoro-4-(4-isocyanatophenyl)benzoate
CID 169355226
methyl 2-fluoro-4-pyridin-3-ylbenzoate
CID 46317431
4-(3,5-difluorophenyl)-2-fluorobenzoic acid
CID 53211091
methyl 4-[4-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]-2-fluorobenzoate
CID 168605167
methyl 2-fluoro-4-(5-methoxy-3-pyridinyl)benzoate
CID 70699864
methyl 2-fluoro-4-[3-(trifluoromethoxy)phenyl]benzoate
CID 134635067
methyl 2-fluoro-4-(1H-pyrazol-5-yl)benzoate
CID 165486349
3-(3-chloro-4-methoxycarbonylphenyl)-5-fluorobenzoic acid
CID 53228476

Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoro-4-(3-fluoro-5-hydroxyphenyl)benzoate?
The IUPAC name of methyl 2-fluoro-4-(3-fluoro-5-hydroxyphenyl)benzoate (CID 53219657) is methyl 2-fluoro-4-(3-fluoro-5-hydroxyphenyl)benzoate.
What is the SMILES notation for methyl 2-fluoro-4-(3-fluoro-5-hydroxyphenyl)benzoate?
The canonical SMILES for methyl 2-fluoro-4-(3-fluoro-5-hydroxyphenyl)benzoate is COC(=O)c1ccc(-c2cc(O)cc(F)c2)cc1F.
What is the InChIKey of methyl 2-fluoro-4-(3-fluoro-5-hydroxyphenyl)benzoate?
The InChIKey is JVGQAICILVMRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2O3/c1-19-14(18)12-3-2-8(6-13(12)16)9-4-10(15)7-11(17)5-9/h2-7,17H,1H3.
What are the key properties of methyl 2-fluoro-4-(3-fluoro-5-hydroxyphenyl)benzoate?
methyl 2-fluoro-4-(3-fluoro-5-hydroxyphenyl)benzoate has a molecular weight of 264.23 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoro-4-(3-fluoro-5-hydroxyphenyl)benzoate is sourced from PubChem (CID 53219657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).