(4-hydroxyphenyl) 2-iodobutanoate

C10H11IO3 — CID 126723622

IUPAC(4-hydroxyphenyl) 2-iodobutanoate
SMILESCCC(I)C(=O)Oc1ccc(O)cc1
InChIInChI=1S/C10H11IO3/c1-2-9(11)10(13)14-8-5-3-7(12)4-6-8/h3-6,9,12H,2H2,1H3
InChIKeyNWGJMKZKPJTAPI-UHFFFAOYSA-N
MW306.10 g/mol
LogP2.51
Rot. Bonds3

About (4-hydroxyphenyl) 2-iodobutanoate

(4-hydroxyphenyl) 2-iodobutanoate (PubChem CID 126723622) has the molecular formula C10H11IO3 and a molecular weight of 306.10 g/mol. Its IUPAC name is (4-hydroxyphenyl) 2-iodobutanoate.

Molecular Properties

Compound Name(4-hydroxyphenyl) 2-iodobutanoate
PubChem CID126723622
Molecular FormulaC10H11IO3
Molecular Weight306.10 g/mol
Exact Mass305.98
IUPAC Name(4-hydroxyphenyl) 2-iodobutanoate
SMILESCCC(I)C(=O)Oc1ccc(O)cc1
InChIInChI=1S/C10H11IO3/c1-2-9(11)10(13)14-8-5-3-7(12)4-6-8/h3-6,9,12H,2H2,1H3
InChIKeyNWGJMKZKPJTAPI-UHFFFAOYSA-N
XLogP2.51
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.10
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-hydroxyphenyl) 2-methylbutanoate
CID 14573373
(4-hydroxyphenyl) 2,2-diiodoacetate
CID 87220773
[4-(1-propylcyclopentyl)oxyphenyl] 2-iodobutanoate
CID 137452771
(4-hydroxyphenyl) 2-ethyltetradecanoate
CID 57022734
(4-hydroxyphenyl) 2-(methylamino)propanoate
CID 77292098
(4-hydroxyphenyl) 4-(4-hydroxyphenyl)-2,2-dimethylhexanoate
CID 118632879
5-(4-hydroxyphenoxy)-2,4-dimethyl-5-oxopentanoic acid
CID 139447494
(4-hydroxynaphthalen-1-yl) 2-iodobutanoate
CID 126723618
(4-methoxyphenyl) 4,4,4-trifluoro-2-iodobutanoate
CID 141312827
methyl 2-(4-hydroxyphenoxy)butanoate
CID 23513287
(4-chlorophenyl) 2-bromobutanoate
CID 54235424
[4-[1-(7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-yl)cyclopentyl]oxyphenyl] 2-iodobutanoate
CID 137452818

Frequently Asked Questions

What is the IUPAC name of (4-hydroxyphenyl) 2-iodobutanoate?
The IUPAC name of (4-hydroxyphenyl) 2-iodobutanoate (CID 126723622) is (4-hydroxyphenyl) 2-iodobutanoate.
What is the SMILES notation for (4-hydroxyphenyl) 2-iodobutanoate?
The canonical SMILES for (4-hydroxyphenyl) 2-iodobutanoate is CCC(I)C(=O)Oc1ccc(O)cc1.
What is the InChIKey of (4-hydroxyphenyl) 2-iodobutanoate?
The InChIKey is NWGJMKZKPJTAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IO3/c1-2-9(11)10(13)14-8-5-3-7(12)4-6-8/h3-6,9,12H,2H2,1H3.
What are the key properties of (4-hydroxyphenyl) 2-iodobutanoate?
(4-hydroxyphenyl) 2-iodobutanoate has a molecular weight of 306.10 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyphenyl) 2-iodobutanoate is sourced from PubChem (CID 126723622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).