3-(2,6-difluorophenyl)-5-methoxybenzoic acid

C14H10F2O3 — CID 53225965

IUPAC3-(2,6-difluorophenyl)-5-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)cc(-c2c(F)cccc2F)c1
InChIInChI=1S/C14H10F2O3/c1-19-10-6-8(5-9(7-10)14(17)18)13-11(15)3-2-4-12(13)16/h2-7H,1H3,(H,17,18)
InChIKeyGFIFZPOYTHBQOQ-UHFFFAOYSA-N
MW264.23 g/mol
LogP3.34
Rot. Bonds3

About 3-(2,6-difluorophenyl)-5-methoxybenzoic acid

3-(2,6-difluorophenyl)-5-methoxybenzoic acid (PubChem CID 53225965) has the molecular formula C14H10F2O3 and a molecular weight of 264.23 g/mol. Its IUPAC name is 3-(2,6-difluorophenyl)-5-methoxybenzoic acid.

Molecular Properties

Compound Name3-(2,6-difluorophenyl)-5-methoxybenzoic acid
PubChem CID53225965
Molecular FormulaC14H10F2O3
Molecular Weight264.23 g/mol
Exact Mass264.06
IUPAC Name3-(2,6-difluorophenyl)-5-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)cc(-c2c(F)cccc2F)c1
InChIInChI=1S/C14H10F2O3/c1-19-10-6-8(5-9(7-10)14(17)18)13-11(15)3-2-4-12(13)16/h2-7H,1H3,(H,17,18)
InChIKeyGFIFZPOYTHBQOQ-UHFFFAOYSA-N
XLogP3.34
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-aminophenyl)-5-methoxybenzoic acid
CID 53224920
3-fluoro-5-(3-methoxyphenyl)-4-methylbenzoic acid
CID 176508636
3-methoxy-5-(2-methyl-5-phenylphenyl)benzoic acid
CID 57248171
1-[3-(2,6-difluoro-4-methoxyphenyl)phenyl]ethanone
CID 54911823
3-(3-fluoro-5-hydroxyphenyl)-5-methoxybenzoic acid
CID 53225661
4-(3-fluoro-5-methoxyphenyl)benzoic acid
CID 68930625
5-(3-carboxy-5-methoxyphenyl)-2-chlorobenzoic acid
CID 53228184
3-chloro-5-(3-methoxyphenyl)benzoic acid
CID 53225426
3-(2,6-dimethoxyphenyl)-5-methylbenzoic acid
CID 116810858
3-(2,4-dichlorophenyl)-5-methoxybenzoic acid
CID 53227681
2-(2,6-difluoro-4-methoxyphenyl)-6-fluorobenzoic acid
CID 114560379
3-[3-(ethylcarbamoyl)phenyl]-5-methoxybenzoic acid
CID 53227846

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluorophenyl)-5-methoxybenzoic acid?
The IUPAC name of 3-(2,6-difluorophenyl)-5-methoxybenzoic acid (CID 53225965) is 3-(2,6-difluorophenyl)-5-methoxybenzoic acid.
What is the SMILES notation for 3-(2,6-difluorophenyl)-5-methoxybenzoic acid?
The canonical SMILES for 3-(2,6-difluorophenyl)-5-methoxybenzoic acid is COc1cc(C(=O)O)cc(-c2c(F)cccc2F)c1.
What is the InChIKey of 3-(2,6-difluorophenyl)-5-methoxybenzoic acid?
The InChIKey is GFIFZPOYTHBQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2O3/c1-19-10-6-8(5-9(7-10)14(17)18)13-11(15)3-2-4-12(13)16/h2-7H,1H3,(H,17,18).
What are the key properties of 3-(2,6-difluorophenyl)-5-methoxybenzoic acid?
3-(2,6-difluorophenyl)-5-methoxybenzoic acid has a molecular weight of 264.23 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluorophenyl)-5-methoxybenzoic acid is sourced from PubChem (CID 53225965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).