2-hydroxy-2-phenylnonanoic acid

C15H22O3 — CID 11482092

IUPAC2-hydroxy-2-phenylnonanoic acid
SMILESCCCCCCCC(O)(C(=O)O)c1ccccc1
InChIInChI=1S/C15H22O3/c1-2-3-4-5-9-12-15(18,14(16)17)13-10-7-6-8-11-13/h6-8,10-11,18H,2-5,9,12H2,1H3,(H,16,17)
InChIKeyKRXXHKSNTQTHSI-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.32
Rot. Bonds8

About 2-hydroxy-2-phenylnonanoic acid

2-hydroxy-2-phenylnonanoic acid (PubChem CID 11482092) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-hydroxy-2-phenylnonanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-phenylnonanoic acid
PubChem CID11482092
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name2-hydroxy-2-phenylnonanoic acid
SMILESCCCCCCCC(O)(C(=O)O)c1ccccc1
InChIInChI=1S/C15H22O3/c1-2-3-4-5-9-12-15(18,14(16)17)13-10-7-6-8-11-13/h6-8,10-11,18H,2-5,9,12H2,1H3,(H,16,17)
InChIKeyKRXXHKSNTQTHSI-UHFFFAOYSA-N
XLogP3.32
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.32
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-phenylnonanoic acid?
The IUPAC name of 2-hydroxy-2-phenylnonanoic acid (CID 11482092) is 2-hydroxy-2-phenylnonanoic acid.
What is the SMILES notation for 2-hydroxy-2-phenylnonanoic acid?
The canonical SMILES for 2-hydroxy-2-phenylnonanoic acid is CCCCCCCC(O)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-hydroxy-2-phenylnonanoic acid?
The InChIKey is KRXXHKSNTQTHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-2-3-4-5-9-12-15(18,14(16)17)13-10-7-6-8-11-13/h6-8,10-11,18H,2-5,9,12H2,1H3,(H,16,17).
What are the key properties of 2-hydroxy-2-phenylnonanoic acid?
2-hydroxy-2-phenylnonanoic acid has a molecular weight of 250.34 g/mol, XLogP of 3.32, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-phenylnonanoic acid is sourced from PubChem (CID 11482092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).