5-(2-chloro-4-fluoro-5-methylphenyl)-2-hydroxybenzoic acid

C14H10ClFO3 — CID 114103572

IUPAC5-(2-chloro-4-fluoro-5-methylphenyl)-2-hydroxybenzoic acid
SMILESCc1cc(-c2ccc(O)c(C(=O)O)c2)c(Cl)cc1F
InChIInChI=1S/C14H10ClFO3/c1-7-4-9(11(15)6-12(7)16)8-2-3-13(17)10(5-8)14(18)19/h2-6,17H,1H3,(H,18,19)
InChIKeyMBLZTFCHFXBFDM-UHFFFAOYSA-N
MW280.68 g/mol
LogP3.86
Rot. Bonds2

About 5-(2-chloro-4-fluoro-5-methylphenyl)-2-hydroxybenzoic acid

5-(2-chloro-4-fluoro-5-methylphenyl)-2-hydroxybenzoic acid (PubChem CID 114103572) has the molecular formula C14H10ClFO3 and a molecular weight of 280.68 g/mol. Its IUPAC name is 5-(2-chloro-4-fluoro-5-methylphenyl)-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-(2-chloro-4-fluoro-5-methylphenyl)-2-hydroxybenzoic acid
PubChem CID114103572
Molecular FormulaC14H10ClFO3
Molecular Weight280.68 g/mol
Exact Mass280.03
IUPAC Name5-(2-chloro-4-fluoro-5-methylphenyl)-2-hydroxybenzoic acid
SMILESCc1cc(-c2ccc(O)c(C(=O)O)c2)c(Cl)cc1F
InChIInChI=1S/C14H10ClFO3/c1-7-4-9(11(15)6-12(7)16)8-2-3-13(17)10(5-8)14(18)19/h2-6,17H,1H3,(H,18,19)
InChIKeyMBLZTFCHFXBFDM-UHFFFAOYSA-N
XLogP3.86
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.68
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4-fluoro-5-methylphenyl)-2-hydroxybenzoic acid?
The IUPAC name of 5-(2-chloro-4-fluoro-5-methylphenyl)-2-hydroxybenzoic acid (CID 114103572) is 5-(2-chloro-4-fluoro-5-methylphenyl)-2-hydroxybenzoic acid.
What is the SMILES notation for 5-(2-chloro-4-fluoro-5-methylphenyl)-2-hydroxybenzoic acid?
The canonical SMILES for 5-(2-chloro-4-fluoro-5-methylphenyl)-2-hydroxybenzoic acid is Cc1cc(-c2ccc(O)c(C(=O)O)c2)c(Cl)cc1F.
What is the InChIKey of 5-(2-chloro-4-fluoro-5-methylphenyl)-2-hydroxybenzoic acid?
The InChIKey is MBLZTFCHFXBFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFO3/c1-7-4-9(11(15)6-12(7)16)8-2-3-13(17)10(5-8)14(18)19/h2-6,17H,1H3,(H,18,19).
What are the key properties of 5-(2-chloro-4-fluoro-5-methylphenyl)-2-hydroxybenzoic acid?
5-(2-chloro-4-fluoro-5-methylphenyl)-2-hydroxybenzoic acid has a molecular weight of 280.68 g/mol, XLogP of 3.86, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-4-fluoro-5-methylphenyl)-2-hydroxybenzoic acid is sourced from PubChem (CID 114103572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).