2-hydroxy-6-undecylbenzoic acid

C18H28O3 — CID 10946274

IUPAC2-hydroxy-6-undecylbenzoic acid
SMILESCCCCCCCCCCCc1cccc(O)c1C(=O)O
InChIInChI=1S/C18H28O3/c1-2-3-4-5-6-7-8-9-10-12-15-13-11-14-16(19)17(15)18(20)21/h11,13-14,19H,2-10,12H2,1H3,(H,20,21)
InChIKeyKWYIZCAVXFLWSZ-UHFFFAOYSA-N
MW292.42 g/mol
LogP5.16
Rot. Bonds11

About 2-hydroxy-6-undecylbenzoic acid

2-hydroxy-6-undecylbenzoic acid (PubChem CID 10946274) has the molecular formula C18H28O3 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-hydroxy-6-undecylbenzoic acid.

Molecular Properties

Compound Name2-hydroxy-6-undecylbenzoic acid
PubChem CID10946274
Molecular FormulaC18H28O3
Molecular Weight292.42 g/mol
Exact Mass292.20
IUPAC Name2-hydroxy-6-undecylbenzoic acid
SMILESCCCCCCCCCCCc1cccc(O)c1C(=O)O
InChIInChI=1S/C18H28O3/c1-2-3-4-5-6-7-8-9-10-12-15-13-11-14-16(19)17(15)18(20)21/h11,13-14,19H,2-10,12H2,1H3,(H,20,21)
InChIKeyKWYIZCAVXFLWSZ-UHFFFAOYSA-N
XLogP5.16
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.42
LogP ≤ 55.16
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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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-undecylbenzoic acid?
The IUPAC name of 2-hydroxy-6-undecylbenzoic acid (CID 10946274) is 2-hydroxy-6-undecylbenzoic acid.
What is the SMILES notation for 2-hydroxy-6-undecylbenzoic acid?
The canonical SMILES for 2-hydroxy-6-undecylbenzoic acid is CCCCCCCCCCCc1cccc(O)c1C(=O)O.
What is the InChIKey of 2-hydroxy-6-undecylbenzoic acid?
The InChIKey is KWYIZCAVXFLWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O3/c1-2-3-4-5-6-7-8-9-10-12-15-13-11-14-16(19)17(15)18(20)21/h11,13-14,19H,2-10,12H2,1H3,(H,20,21).
What are the key properties of 2-hydroxy-6-undecylbenzoic acid?
2-hydroxy-6-undecylbenzoic acid has a molecular weight of 292.42 g/mol, XLogP of 5.16, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-undecylbenzoic acid is sourced from PubChem (CID 10946274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).