4-(2,5-difluoro-4-methylphenyl)-3-hydroxybenzoic acid

C14H10F2O3 — CID 114103570

IUPAC4-(2,5-difluoro-4-methylphenyl)-3-hydroxybenzoic acid
SMILESCc1cc(F)c(-c2ccc(C(=O)O)cc2O)cc1F
InChIInChI=1S/C14H10F2O3/c1-7-4-12(16)10(6-11(7)15)9-3-2-8(14(18)19)5-13(9)17/h2-6,17H,1H3,(H,18,19)
InChIKeyDQJVTQZDIQWSHW-UHFFFAOYSA-N
MW264.23 g/mol
LogP3.34
Rot. Bonds2

About 4-(2,5-difluoro-4-methylphenyl)-3-hydroxybenzoic acid

4-(2,5-difluoro-4-methylphenyl)-3-hydroxybenzoic acid (PubChem CID 114103570) has the molecular formula C14H10F2O3 and a molecular weight of 264.23 g/mol. Its IUPAC name is 4-(2,5-difluoro-4-methylphenyl)-3-hydroxybenzoic acid.

Molecular Properties

Compound Name4-(2,5-difluoro-4-methylphenyl)-3-hydroxybenzoic acid
PubChem CID114103570
Molecular FormulaC14H10F2O3
Molecular Weight264.23 g/mol
Exact Mass264.06
IUPAC Name4-(2,5-difluoro-4-methylphenyl)-3-hydroxybenzoic acid
SMILESCc1cc(F)c(-c2ccc(C(=O)O)cc2O)cc1F
InChIInChI=1S/C14H10F2O3/c1-7-4-12(16)10(6-11(7)15)9-3-2-8(14(18)19)5-13(9)17/h2-6,17H,1H3,(H,18,19)
InChIKeyDQJVTQZDIQWSHW-UHFFFAOYSA-N
XLogP3.34
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-difluoro-4-methylphenyl)-3-hydroxybenzoic acid?
The IUPAC name of 4-(2,5-difluoro-4-methylphenyl)-3-hydroxybenzoic acid (CID 114103570) is 4-(2,5-difluoro-4-methylphenyl)-3-hydroxybenzoic acid.
What is the SMILES notation for 4-(2,5-difluoro-4-methylphenyl)-3-hydroxybenzoic acid?
The canonical SMILES for 4-(2,5-difluoro-4-methylphenyl)-3-hydroxybenzoic acid is Cc1cc(F)c(-c2ccc(C(=O)O)cc2O)cc1F.
What is the InChIKey of 4-(2,5-difluoro-4-methylphenyl)-3-hydroxybenzoic acid?
The InChIKey is DQJVTQZDIQWSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2O3/c1-7-4-12(16)10(6-11(7)15)9-3-2-8(14(18)19)5-13(9)17/h2-6,17H,1H3,(H,18,19).
What are the key properties of 4-(2,5-difluoro-4-methylphenyl)-3-hydroxybenzoic acid?
4-(2,5-difluoro-4-methylphenyl)-3-hydroxybenzoic acid has a molecular weight of 264.23 g/mol, XLogP of 3.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-difluoro-4-methylphenyl)-3-hydroxybenzoic acid is sourced from PubChem (CID 114103570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).