2-(4-iodo-2-prop-1-en-2-ylphenoxy)ethanol

C11H13IO2 — CID 69060853

IUPAC2-(4-iodo-2-prop-1-en-2-ylphenoxy)ethanol
SMILESC=C(C)c1cc(I)ccc1OCCO
InChIInChI=1S/C11H13IO2/c1-8(2)10-7-9(12)3-4-11(10)14-6-5-13/h3-4,7,13H,1,5-6H2,2H3
InChIKeyOGNHODCJWQRQLD-UHFFFAOYSA-N
MW304.13 g/mol
LogP2.70
Rot. Bonds4

About 2-(4-iodo-2-prop-1-en-2-ylphenoxy)ethanol

2-(4-iodo-2-prop-1-en-2-ylphenoxy)ethanol (PubChem CID 69060853) has the molecular formula C11H13IO2 and a molecular weight of 304.13 g/mol. Its IUPAC name is 2-(4-iodo-2-prop-1-en-2-ylphenoxy)ethanol.

Molecular Properties

Compound Name2-(4-iodo-2-prop-1-en-2-ylphenoxy)ethanol
PubChem CID69060853
Molecular FormulaC11H13IO2
Molecular Weight304.13 g/mol
Exact Mass304.00
IUPAC Name2-(4-iodo-2-prop-1-en-2-ylphenoxy)ethanol
SMILESC=C(C)c1cc(I)ccc1OCCO
InChIInChI=1S/C11H13IO2/c1-8(2)10-7-9(12)3-4-11(10)14-6-5-13/h3-4,7,13H,1,5-6H2,2H3
InChIKeyOGNHODCJWQRQLD-UHFFFAOYSA-N
XLogP2.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.13
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-hydroxyethoxy)ethoxy]-5-iodobenzoic acid
CID 82995027
5-iodo-2-propoxybenzoic acid
CID 10804556
cyclopropyl-(5-iodo-2-propoxyphenyl)methanone
CID 82267286
5-iodo-2-pentoxybenzoic acid
CID 82996012
methyl 5-iodo-2-propoxybenzoate
CID 69136629
2-[4-(2-hydroxyethoxy)-2,3-dimethylphenoxy]ethanol
CID 14025005
5-iodo-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzoic acid
CID 112587928
methyl 2-(3-bromopropoxy)-5-iodobenzoate
CID 89053252
2-[2-(2-methoxyethoxy)-4-(methylamino)-5-prop-1-en-2-ylphenoxy]ethanol
CID 143647642
5-iodo-2-[3-(2-methoxyethoxy)propoxy]benzoic acid
CID 103408924
3,6-bis(2-hydroxyethoxy)benzene-1,2-diol
CID 18513327
1,1,3,3,3-pentafluoro-2-[5-iodo-2-[4-(2-methylprop-2-enoyloxy)butoxy]benzoyl]oxypropane-1-sulfonic acid
CID 170402093

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodo-2-prop-1-en-2-ylphenoxy)ethanol?
The IUPAC name of 2-(4-iodo-2-prop-1-en-2-ylphenoxy)ethanol (CID 69060853) is 2-(4-iodo-2-prop-1-en-2-ylphenoxy)ethanol.
What is the SMILES notation for 2-(4-iodo-2-prop-1-en-2-ylphenoxy)ethanol?
The canonical SMILES for 2-(4-iodo-2-prop-1-en-2-ylphenoxy)ethanol is C=C(C)c1cc(I)ccc1OCCO.
What is the InChIKey of 2-(4-iodo-2-prop-1-en-2-ylphenoxy)ethanol?
The InChIKey is OGNHODCJWQRQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13IO2/c1-8(2)10-7-9(12)3-4-11(10)14-6-5-13/h3-4,7,13H,1,5-6H2,2H3.
What are the key properties of 2-(4-iodo-2-prop-1-en-2-ylphenoxy)ethanol?
2-(4-iodo-2-prop-1-en-2-ylphenoxy)ethanol has a molecular weight of 304.13 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodo-2-prop-1-en-2-ylphenoxy)ethanol is sourced from PubChem (CID 69060853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).