4-(4-iodophenyl)butanoic acid

C10H11IO2 — CID 4645427

IUPAC4-(4-iodophenyl)butanoic acid
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)
InChIKeyOGOMLUBUDYFIOG-UHFFFAOYSA-N
MW290.10 g/mol
LogP2.70
Rot. Bonds4

About 4-(4-iodophenyl)butanoic acid

4-(4-iodophenyl)butanoic acid (PubChem CID 4645427) has the molecular formula C10H11IO2 and a molecular weight of 290.10 g/mol. Its IUPAC name is 4-(4-iodophenyl)butanoic acid.

Molecular Properties

Compound Name4-(4-iodophenyl)butanoic acid
PubChem CID4645427
Molecular FormulaC10H11IO2
Molecular Weight290.10 g/mol
Exact Mass289.98
IUPAC Name4-(4-iodophenyl)butanoic acid
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)
InChIKeyOGOMLUBUDYFIOG-UHFFFAOYSA-N
XLogP2.70
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.10
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(4-iodophenyl)butanoate
CID 41097881
4-(4-bromo(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)butanoic acid
CID 50940550
4-(4-iodophenyl)-N-methylbutanamide
CID 148600520
4-(6-iodo-3-pyridinyl)butanoic acid
CID 134406109
2-[5-(4-iodophenyl)pentanoylamino]acetic acid
CID 119350131
4-[4-(4-bromophenyl)phenyl]butanoic acid
CID 21437969
4-(4-isocyanophenyl)butanoic acid
CID 58502572
4-[4-[(dimethylamino)methyl]phenyl]butanoic acid
CID 117316229
[4-(3-carboxypropyl)phenyl]-methylazanide
CID 58832285
1-(4-iodophenyl)-6,6-dimethylheptan-4-one
CID 164972566
2-[5-(4-iodophenyl)pentanoyl-methylamino]acetic acid
CID 119346304
4-[4-(3-hydroxy-3-methylbutyl)phenyl]butanoic acid
CID 117108398

Frequently Asked Questions

What is the IUPAC name of 4-(4-iodophenyl)butanoic acid?
The IUPAC name of 4-(4-iodophenyl)butanoic acid (CID 4645427) is 4-(4-iodophenyl)butanoic acid.
What is the SMILES notation for 4-(4-iodophenyl)butanoic acid?
The canonical SMILES for 4-(4-iodophenyl)butanoic acid is O=C(O)CCCc1ccc(I)cc1.
What is the InChIKey of 4-(4-iodophenyl)butanoic acid?
The InChIKey is OGOMLUBUDYFIOG-UHFFFAOYSA-N. 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).
What are the key properties of 4-(4-iodophenyl)butanoic acid?
4-(4-iodophenyl)butanoic acid has a molecular weight of 290.10 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-iodophenyl)butanoic acid is sourced from PubChem (CID 4645427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).