4-iodo-2-prop-2-enoxyphenol

C9H9IO2 — CID 121430000

IUPAC4-iodo-2-prop-2-enoxyphenol
SMILESC=CCOc1cc(I)ccc1O
InChIInChI=1S/C9H9IO2/c1-2-5-12-9-6-7(10)3-4-8(9)11/h2-4,6,11H,1,5H2
InChIKeyBOTCHSLIXICXBB-UHFFFAOYSA-N
MW276.07 g/mol
LogP2.56
Rot. Bonds3

About 4-iodo-2-prop-2-enoxyphenol

4-iodo-2-prop-2-enoxyphenol (PubChem CID 121430000) has the molecular formula C9H9IO2 and a molecular weight of 276.07 g/mol. Its IUPAC name is 4-iodo-2-prop-2-enoxyphenol.

Molecular Properties

Compound Name4-iodo-2-prop-2-enoxyphenol
PubChem CID121430000
Molecular FormulaC9H9IO2
Molecular Weight276.07 g/mol
Exact Mass275.96
IUPAC Name4-iodo-2-prop-2-enoxyphenol
SMILESC=CCOc1cc(I)ccc1O
InChIInChI=1S/C9H9IO2/c1-2-5-12-9-6-7(10)3-4-8(9)11/h2-4,6,11H,1,5H2
InChIKeyBOTCHSLIXICXBB-UHFFFAOYSA-N
XLogP2.56
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.07
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(4-hydroxy-3-prop-2-enoxyphenyl)butyl]-2-prop-2-enoxyphenol
CID 54520088
1-(2-hydroxy-4-iodo-6-prop-2-enoxyphenyl)ethanone
CID 155158282
4-iodo-2-(2-trimethylsilylethoxymethoxy)phenol
CID 140903839
4-iodo-2-(trifluoromethoxy)phenol
CID 151053566
(E)-3-(4-hydroxy-3-prop-2-enoxyphenyl)-2-methylprop-2-enoic acid
CID 10444014
5-prop-2-enoxynaphthalene-1,4-diol
CID 11148628
4-(1-hydroxy-4,4-dimethylcyclohexyl)-2-prop-2-enoxyphenol
CID 18414649
(1E,6E)-1-(4-hydroxyphenyl)-7-(4-hydroxy-3-prop-2-enoxyphenyl)hepta-1,6-diene-3,5-dione
CID 141454006
4-fluoro-3-prop-2-enoxyphenol
CID 11159544
2-fluoro-4-prop-2-enoxyphenol
CID 169297964
2-methoxy-1-prop-2-enoxy-4-prop-2-enylbenzene;2-methoxy-4-prop-2-enylphenol
CID 160676628
1-chloro-4-prop-2-enoxynaphthalen-2-ol
CID 12672908

Frequently Asked Questions

What is the IUPAC name of 4-iodo-2-prop-2-enoxyphenol?
The IUPAC name of 4-iodo-2-prop-2-enoxyphenol (CID 121430000) is 4-iodo-2-prop-2-enoxyphenol.
What is the SMILES notation for 4-iodo-2-prop-2-enoxyphenol?
The canonical SMILES for 4-iodo-2-prop-2-enoxyphenol is C=CCOc1cc(I)ccc1O.
What is the InChIKey of 4-iodo-2-prop-2-enoxyphenol?
The InChIKey is BOTCHSLIXICXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9IO2/c1-2-5-12-9-6-7(10)3-4-8(9)11/h2-4,6,11H,1,5H2.
What are the key properties of 4-iodo-2-prop-2-enoxyphenol?
4-iodo-2-prop-2-enoxyphenol has a molecular weight of 276.07 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-2-prop-2-enoxyphenol is sourced from PubChem (CID 121430000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).