3-(2,6-difluoro-4-methoxyphenyl)-4-methoxybenzoic acid

C15H12F2O4 — CID 61026090

IUPAC3-(2,6-difluoro-4-methoxyphenyl)-4-methoxybenzoic acid
SMILESCOc1cc(F)c(-c2cc(C(=O)O)ccc2OC)c(F)c1
InChIInChI=1S/C15H12F2O4/c1-20-9-6-11(16)14(12(17)7-9)10-5-8(15(18)19)3-4-13(10)21-2/h3-7H,1-2H3,(H,18,19)
InChIKeyIVVLDESJRPXWPC-UHFFFAOYSA-N
MW294.25 g/mol
LogP3.35
Rot. Bonds4

About 3-(2,6-difluoro-4-methoxyphenyl)-4-methoxybenzoic acid

3-(2,6-difluoro-4-methoxyphenyl)-4-methoxybenzoic acid (PubChem CID 61026090) has the molecular formula C15H12F2O4 and a molecular weight of 294.25 g/mol. Its IUPAC name is 3-(2,6-difluoro-4-methoxyphenyl)-4-methoxybenzoic acid.

Molecular Properties

Compound Name3-(2,6-difluoro-4-methoxyphenyl)-4-methoxybenzoic acid
PubChem CID61026090
Molecular FormulaC15H12F2O4
Molecular Weight294.25 g/mol
Exact Mass294.07
IUPAC Name3-(2,6-difluoro-4-methoxyphenyl)-4-methoxybenzoic acid
SMILESCOc1cc(F)c(-c2cc(C(=O)O)ccc2OC)c(F)c1
InChIInChI=1S/C15H12F2O4/c1-20-9-6-11(16)14(12(17)7-9)10-5-8(15(18)19)3-4-13(10)21-2/h3-7H,1-2H3,(H,18,19)
InChIKeyIVVLDESJRPXWPC-UHFFFAOYSA-N
XLogP3.35
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.25
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-3-(2,4,6-trifluorophenyl)benzoic acid
CID 61025742
3-(2,6-difluoro-4-methoxyphenyl)-4-methylbenzoic acid
CID 81475981
3-(2,5-dimethoxyphenyl)-4-fluorobenzoic acid
CID 53227234
3-(2,3-difluoro-4-methylphenyl)-4-methoxybenzoic acid
CID 107513998
4-(2,6-difluoro-4-methoxyphenyl)quinoline-6-carboxylic acid
CID 67961895
4-(2,4-dimethoxyphenyl)-3-fluorobenzoic acid
CID 53211675
3-(3-fluorophenyl)-4-methoxybenzoic acid
CID 39349091
2-(2,6-difluoro-4-methoxyphenyl)-6-fluorobenzoic acid
CID 114560379
4-fluoro-3-(3-hydroxy-4-methoxyphenyl)benzoic acid
CID 53220977
4-chloro-3-(5-chloro-2-methoxyphenyl)benzoic acid
CID 53227581
3-(2,5-dichlorophenyl)-4-methoxybenzoic acid
CID 54912392
3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methoxybenzoic acid
CID 82039745

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluoro-4-methoxyphenyl)-4-methoxybenzoic acid?
The IUPAC name of 3-(2,6-difluoro-4-methoxyphenyl)-4-methoxybenzoic acid (CID 61026090) is 3-(2,6-difluoro-4-methoxyphenyl)-4-methoxybenzoic acid.
What is the SMILES notation for 3-(2,6-difluoro-4-methoxyphenyl)-4-methoxybenzoic acid?
The canonical SMILES for 3-(2,6-difluoro-4-methoxyphenyl)-4-methoxybenzoic acid is COc1cc(F)c(-c2cc(C(=O)O)ccc2OC)c(F)c1.
What is the InChIKey of 3-(2,6-difluoro-4-methoxyphenyl)-4-methoxybenzoic acid?
The InChIKey is IVVLDESJRPXWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O4/c1-20-9-6-11(16)14(12(17)7-9)10-5-8(15(18)19)3-4-13(10)21-2/h3-7H,1-2H3,(H,18,19).
What are the key properties of 3-(2,6-difluoro-4-methoxyphenyl)-4-methoxybenzoic acid?
3-(2,6-difluoro-4-methoxyphenyl)-4-methoxybenzoic acid has a molecular weight of 294.25 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluoro-4-methoxyphenyl)-4-methoxybenzoic acid is sourced from PubChem (CID 61026090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).