[2-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-5-hydroxy-3-methoxy-4,6-dimethylphenyl] hypoiodite

C20H21IO6 — CID 170079886

IUPAC[2-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-5-hydroxy-3-methoxy-4,6-dimethylphenyl] hypoiodite
SMILESCOc1ccc(OC)c(/C=C/C(=O)c2c(OC)c(C)c(O)c(C)c2OI)c1
InChIInChI=1S/C20H21IO6/c1-11-18(23)12(2)20(27-21)17(19(11)26-5)15(22)8-6-13-10-14(24-3)7-9-16(13)25-4/h6-10,23H,1-5H3/b8-6+
InChIKeyWKGBRFCRUWAGTF-SOFGYWHQSA-N
MW484.29 g/mol
LogP4.66
Rot. Bonds7

About [2-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-5-hydroxy-3-methoxy-4,6-dimethylphenyl] hypoiodite

[2-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-5-hydroxy-3-methoxy-4,6-dimethylphenyl] hypoiodite (PubChem CID 170079886) has the molecular formula C20H21IO6 and a molecular weight of 484.29 g/mol. Its IUPAC name is [2-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-5-hydroxy-3-methoxy-4,6-dimethylphenyl] hypoiodite.

Molecular Properties

Compound Name[2-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-5-hydroxy-3-methoxy-4,6-dimethylphenyl] hypoiodite
PubChem CID170079886
Molecular FormulaC20H21IO6
Molecular Weight484.29 g/mol
Exact Mass484.04
IUPAC Name[2-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-5-hydroxy-3-methoxy-4,6-dimethylphenyl] hypoiodite
SMILESCOc1ccc(OC)c(/C=C/C(=O)c2c(OC)c(C)c(O)c(C)c2OI)c1
InChIInChI=1S/C20H21IO6/c1-11-18(23)12(2)20(27-21)17(19(11)26-5)15(22)8-6-13-10-14(24-3)7-9-16(13)25-4/h6-10,23H,1-5H3/b8-6+
InChIKeyWKGBRFCRUWAGTF-SOFGYWHQSA-N
XLogP4.66
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.29
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-1-(2,4-dimethoxyphenyl)-3-(2,5-dimethoxyphenyl)prop-2-en-1-one
CID 5332328
(E)-3-(2,5-dimethoxyphenyl)-1-(4-iodophenyl)prop-2-en-1-one
CID 6048491
3-(2,5-dimethoxyphenyl)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one
CID 2860349
1-(3,5-ditert-butyl-4-methoxyphenyl)-3-(2,5-dimethoxyphenyl)prop-2-en-1-one
CID 163079799
(E)-3-(2-hydroxy-5-methoxyphenyl)-1-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
CID 162624464
2-(2-iodoethenyl)-1,4-dimethoxybenzene
CID 57364234
2-[(E)-2-iodoethenyl]-1,4-dimethoxybenzene
CID 46839985
6-(2,5-dimethoxyphenyl)-4-oxohexa-2,5-dienoic acid
CID 54025408
(E)-3-(2,5-dimethoxyphenyl)-1-(2-hydroxy-5-methylphenyl)prop-2-en-1-one;(E)-1-(2-hydroxy-5-methoxyphenyl)-3-(2-methoxyphenyl)prop-2-en-1-one
CID 130277777
3-(2,5-dimethoxyphenyl)-1-(1,3-dimethylpyrazol-4-yl)prop-2-en-1-one
CID 4866968
(E)-1-(2,5-dimethoxyphenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 7515331
[4-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]phenyl] 3,4-dimethoxybenzoate
CID 6124750

Frequently Asked Questions

What is the IUPAC name of [2-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-5-hydroxy-3-methoxy-4,6-dimethylphenyl] hypoiodite?
The IUPAC name of [2-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-5-hydroxy-3-methoxy-4,6-dimethylphenyl] hypoiodite (CID 170079886) is [2-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-5-hydroxy-3-methoxy-4,6-dimethylphenyl] hypoiodite.
What is the SMILES notation for [2-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-5-hydroxy-3-methoxy-4,6-dimethylphenyl] hypoiodite?
The canonical SMILES for [2-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-5-hydroxy-3-methoxy-4,6-dimethylphenyl] hypoiodite is COc1ccc(OC)c(/C=C/C(=O)c2c(OC)c(C)c(O)c(C)c2OI)c1.
What is the InChIKey of [2-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-5-hydroxy-3-methoxy-4,6-dimethylphenyl] hypoiodite?
The InChIKey is WKGBRFCRUWAGTF-SOFGYWHQSA-N. The full InChI is InChI=1S/C20H21IO6/c1-11-18(23)12(2)20(27-21)17(19(11)26-5)15(22)8-6-13-10-14(24-3)7-9-16(13)25-4/h6-10,23H,1-5H3/b8-6+.
What are the key properties of [2-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-5-hydroxy-3-methoxy-4,6-dimethylphenyl] hypoiodite?
[2-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-5-hydroxy-3-methoxy-4,6-dimethylphenyl] hypoiodite has a molecular weight of 484.29 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-5-hydroxy-3-methoxy-4,6-dimethylphenyl] hypoiodite is sourced from PubChem (CID 170079886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).