5-benzyl-2-hydroxybenzoic acid

C14H12O3 — CID 22256263

IUPAC5-benzyl-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(Cc2ccccc2)ccc1O
InChIInChI=1S/C14H12O3/c15-13-7-6-11(9-12(13)14(16)17)8-10-4-2-1-3-5-10/h1-7,9,15H,8H2,(H,16,17)
InChIKeyAFIMKCDXMUVHON-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.68
Rot. Bonds3

About 5-benzyl-2-hydroxybenzoic acid

5-benzyl-2-hydroxybenzoic acid (PubChem CID 22256263) has the molecular formula C14H12O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is 5-benzyl-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-benzyl-2-hydroxybenzoic acid
PubChem CID22256263
Molecular FormulaC14H12O3
Molecular Weight228.25 g/mol
Exact Mass228.08
IUPAC Name5-benzyl-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(Cc2ccccc2)ccc1O
InChIInChI=1S/C14H12O3/c15-13-7-6-11(9-12(13)14(16)17)8-10-4-2-1-3-5-10/h1-7,9,15H,8H2,(H,16,17)
InChIKeyAFIMKCDXMUVHON-UHFFFAOYSA-N
XLogP2.68
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-hydroxybenzoic acid?
The IUPAC name of 5-benzyl-2-hydroxybenzoic acid (CID 22256263) is 5-benzyl-2-hydroxybenzoic acid.
What is the SMILES notation for 5-benzyl-2-hydroxybenzoic acid?
The canonical SMILES for 5-benzyl-2-hydroxybenzoic acid is O=C(O)c1cc(Cc2ccccc2)ccc1O.
What is the InChIKey of 5-benzyl-2-hydroxybenzoic acid?
The InChIKey is AFIMKCDXMUVHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3/c15-13-7-6-11(9-12(13)14(16)17)8-10-4-2-1-3-5-10/h1-7,9,15H,8H2,(H,16,17).
What are the key properties of 5-benzyl-2-hydroxybenzoic acid?
5-benzyl-2-hydroxybenzoic acid has a molecular weight of 228.25 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-hydroxybenzoic acid is sourced from PubChem (CID 22256263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).