2-(4-octylphenoxy)acetic acid

C16H24O3 — CID 27145

IUPAC2-(4-octylphenoxy)acetic acid
SMILESCCCCCCCCc1ccc(OCC(=O)O)cc1
InChIInChI=1S/C16H24O3/c1-2-3-4-5-6-7-8-14-9-11-15(12-10-14)19-13-16(17)18/h9-12H,2-8,13H2,1H3,(H,17,18)
InChIKeyDWUYSEMDJQMICY-UHFFFAOYSA-N
MW264.37 g/mol
LogP4.05
Rot. Bonds10

About 2-(4-octylphenoxy)acetic acid

2-(4-octylphenoxy)acetic acid (PubChem CID 27145) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-(4-octylphenoxy)acetic acid.

Molecular Properties

Compound Name2-(4-octylphenoxy)acetic acid
PubChem CID27145
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Name2-(4-octylphenoxy)acetic acid
SMILESCCCCCCCCc1ccc(OCC(=O)O)cc1
InChIInChI=1S/C16H24O3/c1-2-3-4-5-6-7-8-14-9-11-15(12-10-14)19-13-16(17)18/h9-12H,2-8,13H2,1H3,(H,17,18)
InChIKeyDWUYSEMDJQMICY-UHFFFAOYSA-N
XLogP4.05
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(4-octylphenoxy)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

Related Compounds

2-(4-hexylphenoxy)acetyl chloride
CID 86712364
2-(4-nonylphenoxy)acetamide
CID 54388059
2-(4-docosoxyphenoxy)acetic acid
CID 139839551
7-(4-hexylphenoxy)heptanoic acid
CID 54502336
2-[4-(3-phenylpropyl)phenoxy]acetic acid
CID 101304204
2-[4-(5,5-dimethylhexyl)phenoxy]acetic acid
CID 4058495
1-hexoxy-4-pentylbenzene
CID 54277450
2-[4-[(4-hexylphenyl)diazenyl]phenoxy]acetyl chloride
CID 22501487
4-[4-(4-octylphenoxy)-3-oxobutanoyl]benzoic acid
CID 91806985
2-(4-nonanoylphenoxy)acetic acid
CID 139757126
2-(4-octylphenoxy)propanoic acid
CID 158773320
2-(4-decanoylphenoxy)acetic acid
CID 606645

Frequently Asked Questions

What is the IUPAC name of 2-(4-octylphenoxy)acetic acid?
The IUPAC name of 2-(4-octylphenoxy)acetic acid (CID 27145) is 2-(4-octylphenoxy)acetic acid.
What is the SMILES notation for 2-(4-octylphenoxy)acetic acid?
The canonical SMILES for 2-(4-octylphenoxy)acetic acid is CCCCCCCCc1ccc(OCC(=O)O)cc1.
What is the InChIKey of 2-(4-octylphenoxy)acetic acid?
The InChIKey is DWUYSEMDJQMICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-2-3-4-5-6-7-8-14-9-11-15(12-10-14)19-13-16(17)18/h9-12H,2-8,13H2,1H3,(H,17,18).
What are the key properties of 2-(4-octylphenoxy)acetic acid?
2-(4-octylphenoxy)acetic acid has a molecular weight of 264.37 g/mol, XLogP of 4.05, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-octylphenoxy)acetic acid is sourced from PubChem (CID 27145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).