2-hydroxy-4-pentadecylbenzoic acid

C22H36O3 — CID 3793147

IUPAC2-hydroxy-4-pentadecylbenzoic acid
SMILESCCCCCCCCCCCCCCCc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C22H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-17-20(22(24)25)21(23)18-19/h16-18,23H,2-15H2,1H3,(H,24,25)
InChIKeyZCPCQTFJJJQCGQ-UHFFFAOYSA-N
MW348.53 g/mol
LogP6.72
Rot. Bonds15

About 2-hydroxy-4-pentadecylbenzoic acid

2-hydroxy-4-pentadecylbenzoic acid (PubChem CID 3793147) has the molecular formula C22H36O3 and a molecular weight of 348.53 g/mol. Its IUPAC name is 2-hydroxy-4-pentadecylbenzoic acid.

Molecular Properties

Compound Name2-hydroxy-4-pentadecylbenzoic acid
PubChem CID3793147
Molecular FormulaC22H36O3
Molecular Weight348.53 g/mol
Exact Mass348.27
IUPAC Name2-hydroxy-4-pentadecylbenzoic acid
SMILESCCCCCCCCCCCCCCCc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C22H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-17-20(22(24)25)21(23)18-19/h16-18,23H,2-15H2,1H3,(H,24,25)
InChIKeyZCPCQTFJJJQCGQ-UHFFFAOYSA-N
XLogP6.72
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.53
LogP ≤ 56.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Salicylic Acid
CID 338
Methyl Salicylate
CID 4133
2,5-Dihydroxybenzoic acid
CID 3469
Sodium Salicylate
CID 16760658
Homosalate
CID 8362
Salicylate
CID 54675850
3-Methylsalicylic Acid
CID 6738
2-Ethylhexyl salicylate
CID 8364
2'-Hydroxyacetophenone
CID 8375
Ethyl Salicylate
CID 8365
Menthyl Salicylate
CID 20055232
3-Hydroxy-2-naphthoic acid
CID 7104

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-pentadecylbenzoic acid?
The IUPAC name of 2-hydroxy-4-pentadecylbenzoic acid (CID 3793147) is 2-hydroxy-4-pentadecylbenzoic acid.
What is the SMILES notation for 2-hydroxy-4-pentadecylbenzoic acid?
The canonical SMILES for 2-hydroxy-4-pentadecylbenzoic acid is CCCCCCCCCCCCCCCc1ccc(C(=O)O)c(O)c1.
What is the InChIKey of 2-hydroxy-4-pentadecylbenzoic acid?
The InChIKey is ZCPCQTFJJJQCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-17-20(22(24)25)21(23)18-19/h16-18,23H,2-15H2,1H3,(H,24,25).
What are the key properties of 2-hydroxy-4-pentadecylbenzoic acid?
2-hydroxy-4-pentadecylbenzoic acid has a molecular weight of 348.53 g/mol, XLogP of 6.72, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-pentadecylbenzoic acid is sourced from PubChem (CID 3793147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).