2-hydroxy-2-phenylundecanoic acid

C17H26O3 — CID 11242917

IUPAC2-hydroxy-2-phenylundecanoic acid
SMILESCCCCCCCCCC(O)(C(=O)O)c1ccccc1
InChIInChI=1S/C17H26O3/c1-2-3-4-5-6-7-11-14-17(20,16(18)19)15-12-9-8-10-13-15/h8-10,12-13,20H,2-7,11,14H2,1H3,(H,18,19)
InChIKeyMEWIFACAWKXVKX-UHFFFAOYSA-N
MW278.39 g/mol
LogP4.10
Rot. Bonds10

About 2-hydroxy-2-phenylundecanoic acid

2-hydroxy-2-phenylundecanoic acid (PubChem CID 11242917) has the molecular formula C17H26O3 and a molecular weight of 278.39 g/mol. Its IUPAC name is 2-hydroxy-2-phenylundecanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-phenylundecanoic acid
PubChem CID11242917
Molecular FormulaC17H26O3
Molecular Weight278.39 g/mol
Exact Mass278.19
IUPAC Name2-hydroxy-2-phenylundecanoic acid
SMILESCCCCCCCCCC(O)(C(=O)O)c1ccccc1
InChIInChI=1S/C17H26O3/c1-2-3-4-5-6-7-11-14-17(20,16(18)19)15-12-9-8-10-13-15/h8-10,12-13,20H,2-7,11,14H2,1H3,(H,18,19)
InChIKeyMEWIFACAWKXVKX-UHFFFAOYSA-N
XLogP4.10
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 54.10
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-2-phenylundecanoic acid?
The IUPAC name of 2-hydroxy-2-phenylundecanoic acid (CID 11242917) is 2-hydroxy-2-phenylundecanoic acid.
What is the SMILES notation for 2-hydroxy-2-phenylundecanoic acid?
The canonical SMILES for 2-hydroxy-2-phenylundecanoic acid is CCCCCCCCCC(O)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-hydroxy-2-phenylundecanoic acid?
The InChIKey is MEWIFACAWKXVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O3/c1-2-3-4-5-6-7-11-14-17(20,16(18)19)15-12-9-8-10-13-15/h8-10,12-13,20H,2-7,11,14H2,1H3,(H,18,19).
What are the key properties of 2-hydroxy-2-phenylundecanoic acid?
2-hydroxy-2-phenylundecanoic acid has a molecular weight of 278.39 g/mol, XLogP of 4.10, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-phenylundecanoic acid is sourced from PubChem (CID 11242917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).