2-(4-nonylphenoxy)acetic acid

C17H26O3 — CID 18380

IUPAC2-(4-nonylphenoxy)acetic acid
SMILESCCCCCCCCCc1ccc(OCC(=O)O)cc1
InChIInChI=1S/C17H26O3/c1-2-3-4-5-6-7-8-9-15-10-12-16(13-11-15)20-14-17(18)19/h10-13H,2-9,14H2,1H3,(H,18,19)
InChIKeyNISAHDHKGPWBEM-UHFFFAOYSA-N
MW278.39 g/mol
LogP4.44
Rot. Bonds11

About 2-(4-nonylphenoxy)acetic acid

2-(4-nonylphenoxy)acetic acid (PubChem CID 18380) has the molecular formula C17H26O3 and a molecular weight of 278.39 g/mol. Its IUPAC name is 2-(4-nonylphenoxy)acetic acid.

Molecular Properties

Compound Name2-(4-nonylphenoxy)acetic acid
PubChem CID18380
Molecular FormulaC17H26O3
Molecular Weight278.39 g/mol
Exact Mass278.19
IUPAC Name2-(4-nonylphenoxy)acetic acid
SMILESCCCCCCCCCc1ccc(OCC(=O)O)cc1
InChIInChI=1S/C17H26O3/c1-2-3-4-5-6-7-8-9-15-10-12-16(13-11-15)20-14-17(18)19/h10-13H,2-9,14H2,1H3,(H,18,19)
InChIKeyNISAHDHKGPWBEM-UHFFFAOYSA-N
XLogP4.44
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(4-nonylphenoxy)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-nonylphenoxy)acetic acid?
The IUPAC name of 2-(4-nonylphenoxy)acetic acid (CID 18380) is 2-(4-nonylphenoxy)acetic acid.
What is the SMILES notation for 2-(4-nonylphenoxy)acetic acid?
The canonical SMILES for 2-(4-nonylphenoxy)acetic acid is CCCCCCCCCc1ccc(OCC(=O)O)cc1.
What is the InChIKey of 2-(4-nonylphenoxy)acetic acid?
The InChIKey is NISAHDHKGPWBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O3/c1-2-3-4-5-6-7-8-9-15-10-12-16(13-11-15)20-14-17(18)19/h10-13H,2-9,14H2,1H3,(H,18,19).
What are the key properties of 2-(4-nonylphenoxy)acetic acid?
2-(4-nonylphenoxy)acetic acid has a molecular weight of 278.39 g/mol, XLogP of 4.44, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nonylphenoxy)acetic acid is sourced from PubChem (CID 18380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).