2-[(E)-2-iodoethenyl]-1,4-dimethoxybenzene

C10H11IO2 — CID 46839985

IUPAC2-[(E)-2-iodoethenyl]-1,4-dimethoxybenzene
SMILESCOc1ccc(OC)c(/C=C/I)c1
InChIInChI=1S/C10H11IO2/c1-12-9-3-4-10(13-2)8(7-9)5-6-11/h3-7H,1-2H3/b6-5+
InChIKeyQYRGUQDDFINBRL-AATRIKPKSA-N
MW290.10 g/mol
LogP3.11
Rot. Bonds3

About 2-[(E)-2-iodoethenyl]-1,4-dimethoxybenzene

2-[(E)-2-iodoethenyl]-1,4-dimethoxybenzene (PubChem CID 46839985) has the molecular formula C10H11IO2 and a molecular weight of 290.10 g/mol. Its IUPAC name is 2-[(E)-2-iodoethenyl]-1,4-dimethoxybenzene.

Molecular Properties

Compound Name2-[(E)-2-iodoethenyl]-1,4-dimethoxybenzene
PubChem CID46839985
Molecular FormulaC10H11IO2
Molecular Weight290.10 g/mol
Exact Mass289.98
IUPAC Name2-[(E)-2-iodoethenyl]-1,4-dimethoxybenzene
SMILESCOc1ccc(OC)c(/C=C/I)c1
InChIInChI=1S/C10H11IO2/c1-12-9-3-4-10(13-2)8(7-9)5-6-11/h3-7H,1-2H3/b6-5+
InChIKeyQYRGUQDDFINBRL-AATRIKPKSA-N
XLogP3.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.10
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-iodoethenyl)-1,4-dimethoxybenzene
CID 57364234
1,4-dimethoxy-2-(2-methoxyethenyl)benzene
CID 67174730
1,4-dimethoxy-2-[(E)-3-methylbut-1-enyl]benzene
CID 130417604
[(E)-2-(2,5-dimethoxyphenyl)ethenyl]boronic acid
CID 81222718
(E)-3-(2,5-dimethoxyphenyl)-1-(4-iodophenyl)prop-2-en-1-one
CID 6048491
6-(2,5-dimethoxyphenyl)-4-oxohexa-2,5-dienoic acid
CID 54025408
(E)-1-(2,4-dimethoxyphenyl)-3-(2,5-dimethoxyphenyl)prop-2-en-1-one
CID 5332328
4-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]pyridine
CID 144798319
4-(2,5-dimethoxyphenyl)but-3-en-1-ol
CID 170476817
3-(2,5-dimethoxyphenyl)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one
CID 2860349
3-(2,5-dimethoxyphenyl)-N-propan-2-ylprop-2-enamide
CID 732638
(4-fluorophenyl) (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate
CID 8764873

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-iodoethenyl]-1,4-dimethoxybenzene?
The IUPAC name of 2-[(E)-2-iodoethenyl]-1,4-dimethoxybenzene (CID 46839985) is 2-[(E)-2-iodoethenyl]-1,4-dimethoxybenzene.
What is the SMILES notation for 2-[(E)-2-iodoethenyl]-1,4-dimethoxybenzene?
The canonical SMILES for 2-[(E)-2-iodoethenyl]-1,4-dimethoxybenzene is COc1ccc(OC)c(/C=C/I)c1.
What is the InChIKey of 2-[(E)-2-iodoethenyl]-1,4-dimethoxybenzene?
The InChIKey is QYRGUQDDFINBRL-AATRIKPKSA-N. The full InChI is InChI=1S/C10H11IO2/c1-12-9-3-4-10(13-2)8(7-9)5-6-11/h3-7H,1-2H3/b6-5+.
What are the key properties of 2-[(E)-2-iodoethenyl]-1,4-dimethoxybenzene?
2-[(E)-2-iodoethenyl]-1,4-dimethoxybenzene has a molecular weight of 290.10 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-iodoethenyl]-1,4-dimethoxybenzene is sourced from PubChem (CID 46839985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).