5-(4-iodophenoxy)pentanoic acid

C11H13IO3 — CID 22915460

IUPAC5-(4-iodophenoxy)pentanoic acid
SMILESO=C(O)CCCCOc1ccc(I)cc1
InChIInChI=1S/C11H13IO3/c12-9-4-6-10(7-5-9)15-8-2-1-3-11(13)14/h4-7H,1-3,8H2,(H,13,14)
InChIKeyCHRRVNAYGZUTJZ-UHFFFAOYSA-N
MW320.13 g/mol
LogP2.92
Rot. Bonds6

About 5-(4-iodophenoxy)pentanoic acid

5-(4-iodophenoxy)pentanoic acid (PubChem CID 22915460) has the molecular formula C11H13IO3 and a molecular weight of 320.13 g/mol. Its IUPAC name is 5-(4-iodophenoxy)pentanoic acid.

Molecular Properties

Compound Name5-(4-iodophenoxy)pentanoic acid
PubChem CID22915460
Molecular FormulaC11H13IO3
Molecular Weight320.13 g/mol
Exact Mass319.99
IUPAC Name5-(4-iodophenoxy)pentanoic acid
SMILESO=C(O)CCCCOc1ccc(I)cc1
InChIInChI=1S/C11H13IO3/c12-9-4-6-10(7-5-9)15-8-2-1-3-11(13)14/h4-7H,1-3,8H2,(H,13,14)
InChIKeyCHRRVNAYGZUTJZ-UHFFFAOYSA-N
XLogP2.92
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.13
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(4-iodophenoxy)pentanoic 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

9-phenoxynonanoic acid
CID 15887638
4-(7-carboxyheptoxy)benzoic acid
CID 54128004
6-(4-aminophenoxy)hexanoic acid
CID 3028577
9-(4-fluorophenoxy)nonanoic acid
CID 66875133
methyl 11-(4-iodophenoxy)undecanoate
CID 58773804
9-(4-phenylphenoxy)nonanoic acid
CID 66874790
5-(4-cyanophenoxy)pentanoic acid
CID 18767503
1-(4-iodophenyl)-5-phenoxypentan-1-one
CID 86194293
6-(4-cyanophenoxy)hexanoic acid
CID 22388922
5-(4-phenylmethoxyphenoxy)pentanoic acid
CID 11695119
7-(4-formylphenoxy)heptanoic acid
CID 169448959
8-(4-phenylmethoxyphenoxy)octanoic acid
CID 67165389

Frequently Asked Questions

What is the IUPAC name of 5-(4-iodophenoxy)pentanoic acid?
The IUPAC name of 5-(4-iodophenoxy)pentanoic acid (CID 22915460) is 5-(4-iodophenoxy)pentanoic acid.
What is the SMILES notation for 5-(4-iodophenoxy)pentanoic acid?
The canonical SMILES for 5-(4-iodophenoxy)pentanoic acid is O=C(O)CCCCOc1ccc(I)cc1.
What is the InChIKey of 5-(4-iodophenoxy)pentanoic acid?
The InChIKey is CHRRVNAYGZUTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13IO3/c12-9-4-6-10(7-5-9)15-8-2-1-3-11(13)14/h4-7H,1-3,8H2,(H,13,14).
What are the key properties of 5-(4-iodophenoxy)pentanoic acid?
5-(4-iodophenoxy)pentanoic acid has a molecular weight of 320.13 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-iodophenoxy)pentanoic acid is sourced from PubChem (CID 22915460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).