5-fluoro-2-[(3-methoxyphenyl)methoxymethyl]benzoic acid

C16H15FO4 — CID 63292655

IUPAC5-fluoro-2-[(3-methoxyphenyl)methoxymethyl]benzoic acid
SMILESCOc1cccc(COCc2ccc(F)cc2C(=O)O)c1
InChIInChI=1S/C16H15FO4/c1-20-14-4-2-3-11(7-14)9-21-10-12-5-6-13(17)8-15(12)16(18)19/h2-8H,9-10H2,1H3,(H,18,19)
InChIKeyUSYFWCYZFJFBGP-UHFFFAOYSA-N
MW290.29 g/mol
LogP3.25
Rot. Bonds6

About 5-fluoro-2-[(3-methoxyphenyl)methoxymethyl]benzoic acid

5-fluoro-2-[(3-methoxyphenyl)methoxymethyl]benzoic acid (PubChem CID 63292655) has the molecular formula C16H15FO4 and a molecular weight of 290.29 g/mol. Its IUPAC name is 5-fluoro-2-[(3-methoxyphenyl)methoxymethyl]benzoic acid.

Molecular Properties

Compound Name5-fluoro-2-[(3-methoxyphenyl)methoxymethyl]benzoic acid
PubChem CID63292655
Molecular FormulaC16H15FO4
Molecular Weight290.29 g/mol
Exact Mass290.10
IUPAC Name5-fluoro-2-[(3-methoxyphenyl)methoxymethyl]benzoic acid
SMILESCOc1cccc(COCc2ccc(F)cc2C(=O)O)c1
InChIInChI=1S/C16H15FO4/c1-20-14-4-2-3-11(7-14)9-21-10-12-5-6-13(17)8-15(12)16(18)19/h2-8H,9-10H2,1H3,(H,18,19)
InChIKeyUSYFWCYZFJFBGP-UHFFFAOYSA-N
XLogP3.25
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-difluorophenyl)-2-[(3-methoxyphenyl)methoxy]ethanone
CID 62031147
3-chloro-4-[(3-methoxyphenyl)methoxymethyl]benzoic acid
CID 102670098
4-[(3-methoxyphenyl)methoxymethyl]benzoic acid
CID 24689583
1-(5-fluoro-2-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 43161531
4-fluoro-2-(phenylmethoxymethyl)benzoic acid
CID 107908401
1-(2,4-difluorophenyl)-2-(3-methoxyphenyl)ethanone
CID 43337712
1-(2,4-difluorophenyl)-3-(3-methoxyphenyl)propan-2-one
CID 62196543
2-(but-2-enoxymethyl)-5-fluorobenzoic acid
CID 76994570
1-(2-bromo-4-fluorophenyl)-2-(3-methoxyphenyl)ethanone
CID 61078965
2-[(3-fluorophenoxy)methyl]-5-methylbenzoic acid
CID 117221147
5-fluoro-2-(2-propan-2-yloxyethoxymethyl)benzoic acid
CID 63292747
5-[(3-methoxyphenyl)methoxy]-2-methylbenzoic acid
CID 82165959

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(3-methoxyphenyl)methoxymethyl]benzoic acid?
The IUPAC name of 5-fluoro-2-[(3-methoxyphenyl)methoxymethyl]benzoic acid (CID 63292655) is 5-fluoro-2-[(3-methoxyphenyl)methoxymethyl]benzoic acid.
What is the SMILES notation for 5-fluoro-2-[(3-methoxyphenyl)methoxymethyl]benzoic acid?
The canonical SMILES for 5-fluoro-2-[(3-methoxyphenyl)methoxymethyl]benzoic acid is COc1cccc(COCc2ccc(F)cc2C(=O)O)c1.
What is the InChIKey of 5-fluoro-2-[(3-methoxyphenyl)methoxymethyl]benzoic acid?
The InChIKey is USYFWCYZFJFBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO4/c1-20-14-4-2-3-11(7-14)9-21-10-12-5-6-13(17)8-15(12)16(18)19/h2-8H,9-10H2,1H3,(H,18,19).
What are the key properties of 5-fluoro-2-[(3-methoxyphenyl)methoxymethyl]benzoic acid?
5-fluoro-2-[(3-methoxyphenyl)methoxymethyl]benzoic acid has a molecular weight of 290.29 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(3-methoxyphenyl)methoxymethyl]benzoic acid is sourced from PubChem (CID 63292655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).