4-(3-carboxy-5-hydroxyphenyl)-2-fluorobenzoic acid

C14H9FO5 — CID 53227368

IUPAC4-(3-carboxy-5-hydroxyphenyl)-2-fluorobenzoic acid
SMILESO=C(O)c1cc(O)cc(-c2ccc(C(=O)O)c(F)c2)c1
InChIInChI=1S/C14H9FO5/c15-12-6-7(1-2-11(12)14(19)20)8-3-9(13(17)18)5-10(16)4-8/h1-6,16H,(H,17,18)(H,19,20)
InChIKeyRPIHYZGMIZQTPD-UHFFFAOYSA-N
MW276.22 g/mol
LogP2.59
Rot. Bonds3

About 4-(3-carboxy-5-hydroxyphenyl)-2-fluorobenzoic acid

4-(3-carboxy-5-hydroxyphenyl)-2-fluorobenzoic acid (PubChem CID 53227368) has the molecular formula C14H9FO5 and a molecular weight of 276.22 g/mol. Its IUPAC name is 4-(3-carboxy-5-hydroxyphenyl)-2-fluorobenzoic acid.

Molecular Properties

Compound Name4-(3-carboxy-5-hydroxyphenyl)-2-fluorobenzoic acid
PubChem CID53227368
Molecular FormulaC14H9FO5
Molecular Weight276.22 g/mol
Exact Mass276.04
IUPAC Name4-(3-carboxy-5-hydroxyphenyl)-2-fluorobenzoic acid
SMILESO=C(O)c1cc(O)cc(-c2ccc(C(=O)O)c(F)c2)c1
InChIInChI=1S/C14H9FO5/c15-12-6-7(1-2-11(12)14(19)20)8-3-9(13(17)18)5-10(16)4-8/h1-6,16H,(H,17,18)(H,19,20)
InChIKeyRPIHYZGMIZQTPD-UHFFFAOYSA-N
XLogP2.59
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.22
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-carboxy-5-hydroxyphenyl)-2-fluorobenzoic acid?
The IUPAC name of 4-(3-carboxy-5-hydroxyphenyl)-2-fluorobenzoic acid (CID 53227368) is 4-(3-carboxy-5-hydroxyphenyl)-2-fluorobenzoic acid.
What is the SMILES notation for 4-(3-carboxy-5-hydroxyphenyl)-2-fluorobenzoic acid?
The canonical SMILES for 4-(3-carboxy-5-hydroxyphenyl)-2-fluorobenzoic acid is O=C(O)c1cc(O)cc(-c2ccc(C(=O)O)c(F)c2)c1.
What is the InChIKey of 4-(3-carboxy-5-hydroxyphenyl)-2-fluorobenzoic acid?
The InChIKey is RPIHYZGMIZQTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FO5/c15-12-6-7(1-2-11(12)14(19)20)8-3-9(13(17)18)5-10(16)4-8/h1-6,16H,(H,17,18)(H,19,20).
What are the key properties of 4-(3-carboxy-5-hydroxyphenyl)-2-fluorobenzoic acid?
4-(3-carboxy-5-hydroxyphenyl)-2-fluorobenzoic acid has a molecular weight of 276.22 g/mol, XLogP of 2.59, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-carboxy-5-hydroxyphenyl)-2-fluorobenzoic acid is sourced from PubChem (CID 53227368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).