3-fluoro-4-[(3-methoxyphenyl)methoxy]benzoic acid

C15H13FO4 — CID 28604689

IUPAC3-fluoro-4-[(3-methoxyphenyl)methoxy]benzoic acid
SMILESCOc1cccc(COc2ccc(C(=O)O)cc2F)c1
InChIInChI=1S/C15H13FO4/c1-19-12-4-2-3-10(7-12)9-20-14-6-5-11(15(17)18)8-13(14)16/h2-8H,9H2,1H3,(H,17,18)
InChIKeyLOXFDTJMUZZWPX-UHFFFAOYSA-N
MW276.26 g/mol
LogP3.11
Rot. Bonds5

About 3-fluoro-4-[(3-methoxyphenyl)methoxy]benzoic acid

3-fluoro-4-[(3-methoxyphenyl)methoxy]benzoic acid (PubChem CID 28604689) has the molecular formula C15H13FO4 and a molecular weight of 276.26 g/mol. Its IUPAC name is 3-fluoro-4-[(3-methoxyphenyl)methoxy]benzoic acid.

Molecular Properties

Compound Name3-fluoro-4-[(3-methoxyphenyl)methoxy]benzoic acid
PubChem CID28604689
Molecular FormulaC15H13FO4
Molecular Weight276.26 g/mol
Exact Mass276.08
IUPAC Name3-fluoro-4-[(3-methoxyphenyl)methoxy]benzoic acid
SMILESCOc1cccc(COc2ccc(C(=O)O)cc2F)c1
InChIInChI=1S/C15H13FO4/c1-19-12-4-2-3-10(7-12)9-20-14-6-5-11(15(17)18)8-13(14)16/h2-8H,9H2,1H3,(H,17,18)
InChIKeyLOXFDTJMUZZWPX-UHFFFAOYSA-N
XLogP3.11
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(chloromethyl)-2-fluoro-1-[(3-methoxyphenyl)methoxy]benzene
CID 28946582
4-[(3-methoxyphenyl)methoxymethyl]benzoic acid
CID 24689583
3-chloro-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzoic acid
CID 60651653
5-amino-2-[(3-methoxyphenyl)methoxy]benzoic acid
CID 43379967
3-[[4-(difluoromethyl)-2-fluorophenoxy]methyl]benzoic acid
CID 155154133
1-[3-fluoro-4-[(3-methylphenyl)methoxy]phenyl]-2,2-dimethylpropan-1-one
CID 159779847
3-[(3-methoxyphenyl)methyl]benzoic acid
CID 86242874
3-fluoro-4-(2-methoxyethoxy)benzoic acid
CID 28604965
3-ethoxy-4-[(3-fluorophenyl)methoxy]benzoic acid
CID 6462606
3-bromo-5-[(3-methoxyphenyl)methoxy]benzoic acid
CID 102823525
5-[(3-methoxyphenyl)methoxy]pyridine-3-carboxylic acid
CID 63852197
3-[(2-methoxyphenoxy)methyl]benzoic acid
CID 890775

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(3-methoxyphenyl)methoxy]benzoic acid?
The IUPAC name of 3-fluoro-4-[(3-methoxyphenyl)methoxy]benzoic acid (CID 28604689) is 3-fluoro-4-[(3-methoxyphenyl)methoxy]benzoic acid.
What is the SMILES notation for 3-fluoro-4-[(3-methoxyphenyl)methoxy]benzoic acid?
The canonical SMILES for 3-fluoro-4-[(3-methoxyphenyl)methoxy]benzoic acid is COc1cccc(COc2ccc(C(=O)O)cc2F)c1.
What is the InChIKey of 3-fluoro-4-[(3-methoxyphenyl)methoxy]benzoic acid?
The InChIKey is LOXFDTJMUZZWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO4/c1-19-12-4-2-3-10(7-12)9-20-14-6-5-11(15(17)18)8-13(14)16/h2-8H,9H2,1H3,(H,17,18).
What are the key properties of 3-fluoro-4-[(3-methoxyphenyl)methoxy]benzoic acid?
3-fluoro-4-[(3-methoxyphenyl)methoxy]benzoic acid has a molecular weight of 276.26 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[(3-methoxyphenyl)methoxy]benzoic acid is sourced from PubChem (CID 28604689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).