4-(2,4-dimethoxyphenyl)-3-fluorobenzoic acid

C15H13FO4 — CID 53211675

IUPAC4-(2,4-dimethoxyphenyl)-3-fluorobenzoic acid
SMILESCOc1ccc(-c2ccc(C(=O)O)cc2F)c(OC)c1
InChIInChI=1S/C15H13FO4/c1-19-10-4-6-12(14(8-10)20-2)11-5-3-9(15(17)18)7-13(11)16/h3-8H,1-2H3,(H,17,18)
InChIKeyQCOIHKGJTSYEPP-UHFFFAOYSA-N
MW276.26 g/mol
LogP3.21
Rot. Bonds4

About 4-(2,4-dimethoxyphenyl)-3-fluorobenzoic acid

4-(2,4-dimethoxyphenyl)-3-fluorobenzoic acid (PubChem CID 53211675) has the molecular formula C15H13FO4 and a molecular weight of 276.26 g/mol. Its IUPAC name is 4-(2,4-dimethoxyphenyl)-3-fluorobenzoic acid.

Molecular Properties

Compound Name4-(2,4-dimethoxyphenyl)-3-fluorobenzoic acid
PubChem CID53211675
Molecular FormulaC15H13FO4
Molecular Weight276.26 g/mol
Exact Mass276.08
IUPAC Name4-(2,4-dimethoxyphenyl)-3-fluorobenzoic acid
SMILESCOc1ccc(-c2ccc(C(=O)O)cc2F)c(OC)c1
InChIInChI=1S/C15H13FO4/c1-19-10-4-6-12(14(8-10)20-2)11-5-3-9(15(17)18)7-13(11)16/h3-8H,1-2H3,(H,17,18)
InChIKeyQCOIHKGJTSYEPP-UHFFFAOYSA-N
XLogP3.21
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,4-dimethoxyphenyl)-3-methylbenzoic acid
CID 53227204
4-(2,4-dimethoxyphenyl)-3-fluorophenol
CID 53219547
3-(2,5-dimethoxyphenyl)-4-fluorobenzoic acid
CID 53227234
4-(2,5-difluorophenyl)-3-methoxybenzoic acid
CID 53225988
3-(2,6-difluoro-4-methoxyphenyl)-4-methoxybenzoic acid
CID 61026090
4-(5-fluoro-2-methylphenyl)-3-methoxybenzoic acid
CID 53225605
4-(5-fluoro-2-hydroxyphenyl)-3-methoxybenzoic acid
CID 53225716
3-fluoro-4-(2,4,5-trifluorophenyl)benzoic acid
CID 115503073
6-(2-fluoro-5-methoxyphenyl)naphthalene-2-carboxylic acid
CID 172868745
5-(2,4-dimethoxyphenyl)pyridine-3-carboxylic acid
CID 24729791
4-(4-chloro-2-methoxyphenyl)-3-methylbenzoic acid
CID 53227532
1-[2-(2,4-dimethoxyphenyl)-5-fluorophenyl]ethanone
CID 175647044

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethoxyphenyl)-3-fluorobenzoic acid?
The IUPAC name of 4-(2,4-dimethoxyphenyl)-3-fluorobenzoic acid (CID 53211675) is 4-(2,4-dimethoxyphenyl)-3-fluorobenzoic acid.
What is the SMILES notation for 4-(2,4-dimethoxyphenyl)-3-fluorobenzoic acid?
The canonical SMILES for 4-(2,4-dimethoxyphenyl)-3-fluorobenzoic acid is COc1ccc(-c2ccc(C(=O)O)cc2F)c(OC)c1.
What is the InChIKey of 4-(2,4-dimethoxyphenyl)-3-fluorobenzoic acid?
The InChIKey is QCOIHKGJTSYEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO4/c1-19-10-4-6-12(14(8-10)20-2)11-5-3-9(15(17)18)7-13(11)16/h3-8H,1-2H3,(H,17,18).
What are the key properties of 4-(2,4-dimethoxyphenyl)-3-fluorobenzoic acid?
4-(2,4-dimethoxyphenyl)-3-fluorobenzoic acid has a molecular weight of 276.26 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethoxyphenyl)-3-fluorobenzoic acid is sourced from PubChem (CID 53211675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).