8-(4-phenylmethoxyphenoxy)octanoic acid

C21H26O4 — CID 67165389

IUPAC8-(4-phenylmethoxyphenoxy)octanoic acid
SMILESO=C(O)CCCCCCCOc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C21H26O4/c22-21(23)11-7-2-1-3-8-16-24-19-12-14-20(15-13-19)25-17-18-9-5-4-6-10-18/h4-6,9-10,12-15H,1-3,7-8,11,16-17H2,(H,22,23)
InChIKeyOFHDWUSDYLDBBR-UHFFFAOYSA-N
MW342.44 g/mol
LogP5.07
Rot. Bonds12

About 8-(4-phenylmethoxyphenoxy)octanoic acid

8-(4-phenylmethoxyphenoxy)octanoic acid (PubChem CID 67165389) has the molecular formula C21H26O4 and a molecular weight of 342.44 g/mol. Its IUPAC name is 8-(4-phenylmethoxyphenoxy)octanoic acid.

Molecular Properties

Compound Name8-(4-phenylmethoxyphenoxy)octanoic acid
PubChem CID67165389
Molecular FormulaC21H26O4
Molecular Weight342.44 g/mol
Exact Mass342.18
IUPAC Name8-(4-phenylmethoxyphenoxy)octanoic acid
SMILESO=C(O)CCCCCCCOc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C21H26O4/c22-21(23)11-7-2-1-3-8-16-24-19-12-14-20(15-13-19)25-17-18-9-5-4-6-10-18/h4-6,9-10,12-15H,1-3,7-8,11,16-17H2,(H,22,23)
InChIKeyOFHDWUSDYLDBBR-UHFFFAOYSA-N
XLogP5.07
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.44
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 8-(4-phenylmethoxyphenoxy)octanoic 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

7-(4-phenylmethoxyphenoxy)heptanoic acid
CID 66930866
5-(4-phenylmethoxyphenoxy)pentanoic acid
CID 11695119
6-(4-phenylmethoxyphenyl)hexanoic acid
CID 138486172
9-phenoxynonanoic acid
CID 15887638
1-phenylmethoxy-4-[9-(4-phenylmethoxyphenoxy)nonoxy]benzene
CID 43835980
9-(4-phenylphenoxy)nonanoic acid
CID 66874790
ethyl 11-(4-phenylmethoxyphenoxy)undecanoate
CID 21259961
9-(4-fluorophenoxy)nonanoic acid
CID 66875133
8-(4-phenylmethoxyphenoxy)octylazanium
CID 142204754
6-(4-aminophenoxy)hexanoic acid
CID 3028577
4-(7-carboxyheptoxy)benzoic acid
CID 54128004
1-(8-bromooctoxy)-4-phenylmethoxybenzene
CID 86051798

Frequently Asked Questions

What is the IUPAC name of 8-(4-phenylmethoxyphenoxy)octanoic acid?
The IUPAC name of 8-(4-phenylmethoxyphenoxy)octanoic acid (CID 67165389) is 8-(4-phenylmethoxyphenoxy)octanoic acid.
What is the SMILES notation for 8-(4-phenylmethoxyphenoxy)octanoic acid?
The canonical SMILES for 8-(4-phenylmethoxyphenoxy)octanoic acid is O=C(O)CCCCCCCOc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 8-(4-phenylmethoxyphenoxy)octanoic acid?
The InChIKey is OFHDWUSDYLDBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O4/c22-21(23)11-7-2-1-3-8-16-24-19-12-14-20(15-13-19)25-17-18-9-5-4-6-10-18/h4-6,9-10,12-15H,1-3,7-8,11,16-17H2,(H,22,23).
What are the key properties of 8-(4-phenylmethoxyphenoxy)octanoic acid?
8-(4-phenylmethoxyphenoxy)octanoic acid has a molecular weight of 342.44 g/mol, XLogP of 5.07, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-phenylmethoxyphenoxy)octanoic acid is sourced from PubChem (CID 67165389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).