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

C15H13FO3 — CID 75488340

IUPACmethyl 3-fluoro-4-(3-methoxyphenyl)benzoate
SMILESCOC(=O)c1ccc(-c2cccc(OC)c2)c(F)c1
InChIInChI=1S/C15H13FO3/c1-18-12-5-3-4-10(8-12)13-7-6-11(9-14(13)16)15(17)19-2/h3-9H,1-2H3
InChIKeyYOKTYICSVAZSOP-UHFFFAOYSA-N
MW260.26 g/mol
LogP3.29
Rot. Bonds3

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

methyl 3-fluoro-4-(3-methoxyphenyl)benzoate (PubChem CID 75488340) has the molecular formula C15H13FO3 and a molecular weight of 260.26 g/mol. Its IUPAC name is methyl 3-fluoro-4-(3-methoxyphenyl)benzoate.

Molecular Properties

Compound Namemethyl 3-fluoro-4-(3-methoxyphenyl)benzoate
PubChem CID75488340
Molecular FormulaC15H13FO3
Molecular Weight260.26 g/mol
Exact Mass260.08
IUPAC Namemethyl 3-fluoro-4-(3-methoxyphenyl)benzoate
SMILESCOC(=O)c1ccc(-c2cccc(OC)c2)c(F)c1
InChIInChI=1S/C15H13FO3/c1-18-12-5-3-4-10(8-12)13-7-6-11(9-14(13)16)15(17)19-2/h3-9H,1-2H3
InChIKeyYOKTYICSVAZSOP-UHFFFAOYSA-N
XLogP3.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 3-fluoro-4-(3-methoxyphenyl)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-fluoro-4-(3,4,5-trifluorophenyl)benzoate
CID 151858765
methyl 3-fluoro-4-(3-hydroxy-4-methoxyphenyl)benzoate
CID 53221034
4-(2-fluoro-4-methoxycarbonylphenyl)benzoic acid
CID 53218416
methyl 4-(3-chloro-4-fluorophenyl)-3-fluorobenzoate
CID 75488399
3-fluoro-4-[3-(trifluoromethoxy)phenyl]benzoyl chloride
CID 134620203
3-fluoro-4-[3-(trifluoromethoxy)phenyl]benzoic acid
CID 53211302
3-fluoro-5-(3-methoxyphenyl)-4-methylbenzoic acid
CID 176508636
3-(2-fluoro-4-methoxycarbonylphenyl)-2-methoxybenzoic acid
CID 53227906
1-[2-fluoro-6-(3-methoxyphenyl)phenyl]ethanone
CID 175686725
methyl 4-(3-hydroxyphenyl)-3-methylbenzoate
CID 169272062
1-[3-methoxy-4-(3-methoxyphenyl)phenyl]ethanone
CID 20716225
methyl 4-fluoro-1-(2-fluoro-4-methoxyphenyl)isoquinoline-7-carboxylate
CID 67961573

Frequently Asked Questions

What is the IUPAC name of methyl 3-fluoro-4-(3-methoxyphenyl)benzoate?
The IUPAC name of methyl 3-fluoro-4-(3-methoxyphenyl)benzoate (CID 75488340) is methyl 3-fluoro-4-(3-methoxyphenyl)benzoate.
What is the SMILES notation for methyl 3-fluoro-4-(3-methoxyphenyl)benzoate?
The canonical SMILES for methyl 3-fluoro-4-(3-methoxyphenyl)benzoate is COC(=O)c1ccc(-c2cccc(OC)c2)c(F)c1.
What is the InChIKey of methyl 3-fluoro-4-(3-methoxyphenyl)benzoate?
The InChIKey is YOKTYICSVAZSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO3/c1-18-12-5-3-4-10(8-12)13-7-6-11(9-14(13)16)15(17)19-2/h3-9H,1-2H3.
What are the key properties of methyl 3-fluoro-4-(3-methoxyphenyl)benzoate?
methyl 3-fluoro-4-(3-methoxyphenyl)benzoate has a molecular weight of 260.26 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-fluoro-4-(3-methoxyphenyl)benzoate is sourced from PubChem (CID 75488340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).