1-(2-hydroxy-4-iodo-6-prop-2-enoxyphenyl)ethanone

C11H11IO3 — CID 155158282

IUPAC1-(2-hydroxy-4-iodo-6-prop-2-enoxyphenyl)ethanone
SMILESC=CCOc1cc(I)cc(O)c1C(C)=O
InChIInChI=1S/C11H11IO3/c1-3-4-15-10-6-8(12)5-9(14)11(10)7(2)13/h3,5-6,14H,1,4H2,2H3
InChIKeyPSHXUTIGKAYTFW-UHFFFAOYSA-N
MW318.11 g/mol
LogP2.76
Rot. Bonds4

About 1-(2-hydroxy-4-iodo-6-prop-2-enoxyphenyl)ethanone

1-(2-hydroxy-4-iodo-6-prop-2-enoxyphenyl)ethanone (PubChem CID 155158282) has the molecular formula C11H11IO3 and a molecular weight of 318.11 g/mol. Its IUPAC name is 1-(2-hydroxy-4-iodo-6-prop-2-enoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(2-hydroxy-4-iodo-6-prop-2-enoxyphenyl)ethanone
PubChem CID155158282
Molecular FormulaC11H11IO3
Molecular Weight318.11 g/mol
Exact Mass317.98
IUPAC Name1-(2-hydroxy-4-iodo-6-prop-2-enoxyphenyl)ethanone
SMILESC=CCOc1cc(I)cc(O)c1C(C)=O
InChIInChI=1S/C11H11IO3/c1-3-4-15-10-6-8(12)5-9(14)11(10)7(2)13/h3,5-6,14H,1,4H2,2H3
InChIKeyPSHXUTIGKAYTFW-UHFFFAOYSA-N
XLogP2.76
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.11
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-acetyl-5-hydroxy-6-methyl-3-prop-2-enoxyphenyl)ethanone
CID 58521102
4-iodo-2-prop-2-enoxyphenol
CID 121430000
1-(2-ethoxy-6-fluoro-4-iodophenyl)ethanone
CID 131310771
1-(2,4-diethoxy-6-hydroxyphenyl)ethanone
CID 819891
1-[4-(8-bromo-2-methyloctan-2-yl)-2-methoxy-6-prop-2-enoxyphenyl]ethanone
CID 23246211
(E)-3-(4-hydroxy-3-prop-2-enoxyphenyl)-2-methylprop-2-enoic acid
CID 10444014
1-(3-prop-2-enoxy-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 14147378
methyl 3-hydroxy-4-methyl-5-prop-2-enoxybenzoate
CID 156828758
1-(7-prop-2-enoxy-1-benzofuran-2-yl)ethanone
CID 175384005
1-[2-methyl-4,6-bis(prop-2-enoxy)phenyl]propan-1-one
CID 86718660
1-[(E)-(2,4-diiodo-6-prop-2-enoxyphenyl)methylideneamino]-3-[(3,5-diiodo-2-prop-2-enoxyphenyl)methylideneamino]urea
CID 21214312
bis(4-methoxy-2-prop-2-enoxyphenyl)methanone
CID 134843871

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-4-iodo-6-prop-2-enoxyphenyl)ethanone?
The IUPAC name of 1-(2-hydroxy-4-iodo-6-prop-2-enoxyphenyl)ethanone (CID 155158282) is 1-(2-hydroxy-4-iodo-6-prop-2-enoxyphenyl)ethanone.
What is the SMILES notation for 1-(2-hydroxy-4-iodo-6-prop-2-enoxyphenyl)ethanone?
The canonical SMILES for 1-(2-hydroxy-4-iodo-6-prop-2-enoxyphenyl)ethanone is C=CCOc1cc(I)cc(O)c1C(C)=O.
What is the InChIKey of 1-(2-hydroxy-4-iodo-6-prop-2-enoxyphenyl)ethanone?
The InChIKey is PSHXUTIGKAYTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11IO3/c1-3-4-15-10-6-8(12)5-9(14)11(10)7(2)13/h3,5-6,14H,1,4H2,2H3.
What are the key properties of 1-(2-hydroxy-4-iodo-6-prop-2-enoxyphenyl)ethanone?
1-(2-hydroxy-4-iodo-6-prop-2-enoxyphenyl)ethanone has a molecular weight of 318.11 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-4-iodo-6-prop-2-enoxyphenyl)ethanone is sourced from PubChem (CID 155158282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).