4-(4-iodophenyl)butanoate

C10H10IO2- — CID 41097881

IUPAC4-(4-iodophenyl)butanoate
SMILESO=C([O-])CCCc1ccc(I)cc1
InChIInChI=1S/C10H11IO2/c11-9-6-4-8(5-7-9)2-1-3-10(12)13/h4-7H,1-3H2,(H,12,13)/p-1
InChIKeyOGOMLUBUDYFIOG-UHFFFAOYSA-M
MW289.09 g/mol
LogP1.36
Rot. Bonds4

About 4-(4-iodophenyl)butanoate

4-(4-iodophenyl)butanoate (PubChem CID 41097881) has the molecular formula C10H10IO2- and a molecular weight of 289.09 g/mol. Its IUPAC name is 4-(4-iodophenyl)butanoate.

Molecular Properties

Compound Name4-(4-iodophenyl)butanoate
PubChem CID41097881
Molecular FormulaC10H10IO2-
Molecular Weight289.09 g/mol
Exact Mass288.97
IUPAC Name4-(4-iodophenyl)butanoate
SMILESO=C([O-])CCCc1ccc(I)cc1
InChIInChI=1S/C10H11IO2/c11-9-6-4-8(5-7-9)2-1-3-10(12)13/h4-7H,1-3H2,(H,12,13)/p-1
InChIKeyOGOMLUBUDYFIOG-UHFFFAOYSA-M
XLogP1.36
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.09
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(4-iodophenyl)butanoate 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

4-(4-iodophenyl)butanoic acid
CID 4645427
lithium 4-phenylbutanoate
CID 50923149
calcium bis(4-phenylbutanoate)
CID 11187721
4-(4-iodophenyl)-N-methylbutanamide
CID 148600520
sodium 9-(4-hydroxyphenyl)nonanoate
CID 23710359
sodium 15-(4-hydroxyphenyl)pentadecanoate
CID 23710314
1-(4-iodophenyl)-6,6-dimethylheptan-4-one
CID 164972566
3-(4-iodophenyl)propanethioic S-acid
CID 18003770
potassium 15-phenylpentadecanoate
CID 23717018
4-thiophen-3-ylbutanoate
CID 86324435
6-(4-iodophenyl)-2,2-dimethylhexane-3-thione
CID 134309816
2-[5-(4-iodophenyl)pentanoylamino]acetic acid
CID 119350131

Frequently Asked Questions

What is the IUPAC name of 4-(4-iodophenyl)butanoate?
The IUPAC name of 4-(4-iodophenyl)butanoate (CID 41097881) is 4-(4-iodophenyl)butanoate.
What is the SMILES notation for 4-(4-iodophenyl)butanoate?
The canonical SMILES for 4-(4-iodophenyl)butanoate is O=C([O-])CCCc1ccc(I)cc1.
What is the InChIKey of 4-(4-iodophenyl)butanoate?
The InChIKey is OGOMLUBUDYFIOG-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H11IO2/c11-9-6-4-8(5-7-9)2-1-3-10(12)13/h4-7H,1-3H2,(H,12,13)/p-1.
What are the key properties of 4-(4-iodophenyl)butanoate?
4-(4-iodophenyl)butanoate has a molecular weight of 289.09 g/mol, XLogP of 1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-iodophenyl)butanoate is sourced from PubChem (CID 41097881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).