5-[2-[2-carboxy-4-(2,4-difluorophenyl)phenoxy]-4-fluorophenyl]-2-hydroxybenzoic acid

C26H15F3O6 — CID 154572888

IUPAC5-[2-[2-carboxy-4-(2,4-difluorophenyl)phenoxy]-4-fluorophenyl]-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(-c2ccc(F)cc2Oc2ccc(-c3ccc(F)cc3F)cc2C(=O)O)ccc1O
InChIInChI=1S/C26H15F3O6/c27-15-3-5-17(21(29)11-15)13-2-8-23(20(10-13)26(33)34)35-24-12-16(28)4-6-18(24)14-1-7-22(30)19(9-14)25(31)32/h1-12,30H,(H,31,32)(H,33,34)
InChIKeyZVGDOVVKVQGQQP-UHFFFAOYSA-N
MW480.39 g/mol
LogP6.33
Rot. Bonds6

About 5-[2-[2-carboxy-4-(2,4-difluorophenyl)phenoxy]-4-fluorophenyl]-2-hydroxybenzoic acid

5-[2-[2-carboxy-4-(2,4-difluorophenyl)phenoxy]-4-fluorophenyl]-2-hydroxybenzoic acid (PubChem CID 154572888) has the molecular formula C26H15F3O6 and a molecular weight of 480.39 g/mol. Its IUPAC name is 5-[2-[2-carboxy-4-(2,4-difluorophenyl)phenoxy]-4-fluorophenyl]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-[2-[2-carboxy-4-(2,4-difluorophenyl)phenoxy]-4-fluorophenyl]-2-hydroxybenzoic acid
PubChem CID154572888
Molecular FormulaC26H15F3O6
Molecular Weight480.39 g/mol
Exact Mass480.08
IUPAC Name5-[2-[2-carboxy-4-(2,4-difluorophenyl)phenoxy]-4-fluorophenyl]-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(-c2ccc(F)cc2Oc2ccc(-c3ccc(F)cc3F)cc2C(=O)O)ccc1O
InChIInChI=1S/C26H15F3O6/c27-15-3-5-17(21(29)11-15)13-2-8-23(20(10-13)26(33)34)35-24-12-16(28)4-6-18(24)14-1-7-22(30)19(9-14)25(31)32/h1-12,30H,(H,31,32)(H,33,34)
InChIKeyZVGDOVVKVQGQQP-UHFFFAOYSA-N
XLogP6.33
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.39
LogP ≤ 56.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-[2-[2-carboxy-4-(2,4-difluorophenyl)phenoxy]-4-fluorophenyl]-2-hydroxybenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-acetyloxy-5-(2,4-difluorophenyl)benzoic acid
CID 10447030
2-[8-[2-carboxy-4-(2,4-difluorophenyl)phenoxy]octoxy]-5-(2,4-difluorophenyl)benzoic acid
CID 11763391
5-(2,4-difluorophenyl)-2-fluorobenzoic acid
CID 53211194
5-(2,4-difluorophenyl)-2-methylsulfanylcarbonyloxybenzoic acid
CID 144552933
2-fluoro-5-(4-fluoro-2-hydroxyphenyl)benzoic acid
CID 53225685
1-[5-(2,4-difluorophenyl)-2-hydroxyphenyl]-2,2-dimethylpropan-1-one
CID 58554662
(3R,6S)-6-[2-carboxy-4-(2,4-difluorophenyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 139024958
2-[5-(2,4-difluorophenyl)-2-hydroxyphenyl]acetic acid
CID 151855786
5-(2,4-difluorophenyl)-2-propylbenzoic acid
CID 130399404
5-(2,4-difluorophenyl)-2-(2-sulfanylethyl)benzoic acid
CID 145031901
5-fluoro-2-(2-methoxyphenoxy)benzoic acid
CID 43313324
5-(2,4-difluorophenyl)-2-[1-[(2-methoxy-2-oxoethyl)amino]-1-oxopropan-2-yl]sulfanylcarbonyloxybenzoic acid
CID 88536099

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-carboxy-4-(2,4-difluorophenyl)phenoxy]-4-fluorophenyl]-2-hydroxybenzoic acid?
The IUPAC name of 5-[2-[2-carboxy-4-(2,4-difluorophenyl)phenoxy]-4-fluorophenyl]-2-hydroxybenzoic acid (CID 154572888) is 5-[2-[2-carboxy-4-(2,4-difluorophenyl)phenoxy]-4-fluorophenyl]-2-hydroxybenzoic acid.
What is the SMILES notation for 5-[2-[2-carboxy-4-(2,4-difluorophenyl)phenoxy]-4-fluorophenyl]-2-hydroxybenzoic acid?
The canonical SMILES for 5-[2-[2-carboxy-4-(2,4-difluorophenyl)phenoxy]-4-fluorophenyl]-2-hydroxybenzoic acid is O=C(O)c1cc(-c2ccc(F)cc2Oc2ccc(-c3ccc(F)cc3F)cc2C(=O)O)ccc1O.
What is the InChIKey of 5-[2-[2-carboxy-4-(2,4-difluorophenyl)phenoxy]-4-fluorophenyl]-2-hydroxybenzoic acid?
The InChIKey is ZVGDOVVKVQGQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H15F3O6/c27-15-3-5-17(21(29)11-15)13-2-8-23(20(10-13)26(33)34)35-24-12-16(28)4-6-18(24)14-1-7-22(30)19(9-14)25(31)32/h1-12,30H,(H,31,32)(H,33,34).
What are the key properties of 5-[2-[2-carboxy-4-(2,4-difluorophenyl)phenoxy]-4-fluorophenyl]-2-hydroxybenzoic acid?
5-[2-[2-carboxy-4-(2,4-difluorophenyl)phenoxy]-4-fluorophenyl]-2-hydroxybenzoic acid has a molecular weight of 480.39 g/mol, XLogP of 6.33, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-carboxy-4-(2,4-difluorophenyl)phenoxy]-4-fluorophenyl]-2-hydroxybenzoic acid is sourced from PubChem (CID 154572888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).