methyl 3-fluoro-4-(3-hydroxy-4-methoxyphenyl)benzoate

C15H13FO4 — CID 53221034

IUPACmethyl 3-fluoro-4-(3-hydroxy-4-methoxyphenyl)benzoate
SMILESCOC(=O)c1ccc(-c2ccc(OC)c(O)c2)c(F)c1
InChIInChI=1S/C15H13FO4/c1-19-14-6-4-9(8-13(14)17)11-5-3-10(7-12(11)16)15(18)20-2/h3-8,17H,1-2H3
InChIKeyORVGWEIVZFTZTM-UHFFFAOYSA-N
MW276.26 g/mol
LogP2.99
Rot. Bonds3

About methyl 3-fluoro-4-(3-hydroxy-4-methoxyphenyl)benzoate

methyl 3-fluoro-4-(3-hydroxy-4-methoxyphenyl)benzoate (PubChem CID 53221034) has the molecular formula C15H13FO4 and a molecular weight of 276.26 g/mol. Its IUPAC name is methyl 3-fluoro-4-(3-hydroxy-4-methoxyphenyl)benzoate.

Molecular Properties

Compound Namemethyl 3-fluoro-4-(3-hydroxy-4-methoxyphenyl)benzoate
PubChem CID53221034
Molecular FormulaC15H13FO4
Molecular Weight276.26 g/mol
Exact Mass276.08
IUPAC Namemethyl 3-fluoro-4-(3-hydroxy-4-methoxyphenyl)benzoate
SMILESCOC(=O)c1ccc(-c2ccc(OC)c(O)c2)c(F)c1
InChIInChI=1S/C15H13FO4/c1-19-14-6-4-9(8-13(14)17)11-5-3-10(7-12(11)16)15(18)20-2/h3-8,17H,1-2H3
InChIKeyORVGWEIVZFTZTM-UHFFFAOYSA-N
XLogP2.99
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-fluoro-4-methoxyphenyl)-2-methoxyphenol
CID 53220882
4-(2-fluoro-4-methoxycarbonylphenyl)benzoic acid
CID 53218416
methyl 4-(3-chloro-4-fluorophenyl)-3-fluorobenzoate
CID 75488399
methyl 3-fluoro-4-(3,4,5-trifluorophenyl)benzoate
CID 151858765
methyl 3-fluoro-4-(3-methoxyphenyl)benzoate
CID 75488340
4-fluoro-3-(3-hydroxy-4-methoxyphenyl)benzoic acid
CID 53220977
methyl 4-(5-bromo-2-hydroxyphenyl)-3-fluorobenzoate
CID 156807219
5-(2-fluoro-5-methylphenyl)-2-methoxyphenol
CID 53220775
methyl 3-fluoro-4-(5-fluoro-6-methoxyquinolin-2-yl)benzoate
CID 66980053
2,2-dimethylpropane;ethane;methyl 3-fluoro-4-hydroxybenzoate
CID 144796029
methyl 4-(3,4-dimethoxyphenyl)benzoate
CID 14570120
methyl 4-methoxy-3-phenylbenzoate
CID 11010121

Frequently Asked Questions

What is the IUPAC name of methyl 3-fluoro-4-(3-hydroxy-4-methoxyphenyl)benzoate?
The IUPAC name of methyl 3-fluoro-4-(3-hydroxy-4-methoxyphenyl)benzoate (CID 53221034) is methyl 3-fluoro-4-(3-hydroxy-4-methoxyphenyl)benzoate.
What is the SMILES notation for methyl 3-fluoro-4-(3-hydroxy-4-methoxyphenyl)benzoate?
The canonical SMILES for methyl 3-fluoro-4-(3-hydroxy-4-methoxyphenyl)benzoate is COC(=O)c1ccc(-c2ccc(OC)c(O)c2)c(F)c1.
What is the InChIKey of methyl 3-fluoro-4-(3-hydroxy-4-methoxyphenyl)benzoate?
The InChIKey is ORVGWEIVZFTZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO4/c1-19-14-6-4-9(8-13(14)17)11-5-3-10(7-12(11)16)15(18)20-2/h3-8,17H,1-2H3.
What are the key properties of methyl 3-fluoro-4-(3-hydroxy-4-methoxyphenyl)benzoate?
methyl 3-fluoro-4-(3-hydroxy-4-methoxyphenyl)benzoate has a molecular weight of 276.26 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-fluoro-4-(3-hydroxy-4-methoxyphenyl)benzoate is sourced from PubChem (CID 53221034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).