2-iodo-1-methoxy-4-[(E)-2-methoxyethenyl]benzene

C10H11IO2 — CID 155006658

IUPAC2-iodo-1-methoxy-4-[(E)-2-methoxyethenyl]benzene
SMILESCO/C=C/c1ccc(OC)c(I)c1
InChIInChI=1S/C10H11IO2/c1-12-6-5-8-3-4-10(13-2)9(11)7-8/h3-7H,1-2H3/b6-5+
InChIKeyRTUCAJFOYLZXKO-AATRIKPKSA-N
MW290.10 g/mol
LogP2.92
Rot. Bonds3

About 2-iodo-1-methoxy-4-[(E)-2-methoxyethenyl]benzene

2-iodo-1-methoxy-4-[(E)-2-methoxyethenyl]benzene (PubChem CID 155006658) has the molecular formula C10H11IO2 and a molecular weight of 290.10 g/mol. Its IUPAC name is 2-iodo-1-methoxy-4-[(E)-2-methoxyethenyl]benzene.

Molecular Properties

Compound Name2-iodo-1-methoxy-4-[(E)-2-methoxyethenyl]benzene
PubChem CID155006658
Molecular FormulaC10H11IO2
Molecular Weight290.10 g/mol
Exact Mass289.98
IUPAC Name2-iodo-1-methoxy-4-[(E)-2-methoxyethenyl]benzene
SMILESCO/C=C/c1ccc(OC)c(I)c1
InChIInChI=1S/C10H11IO2/c1-12-6-5-8-3-4-10(13-2)9(11)7-8/h3-7H,1-2H3/b6-5+
InChIKeyRTUCAJFOYLZXKO-AATRIKPKSA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-iodo-4-[(E)-2-methoxyethenyl]benzene
CID 122627651
2-[(3-iodo-4-methoxyphenyl)methylidene]propanedinitrile
CID 21208866
2-iodo-4-(3-iodo-4-methoxyphenyl)-1-methoxybenzene
CID 14778921
2-methoxy-4-(2-methoxyethenyl)-1-phenylmethoxybenzene
CID 54126247
(5Z)-5-[(3-iodo-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 2271864
2-iodo-4-[(3-iodo-4-methoxyphenyl)methyl]-1-methoxybenzene
CID 139881431
(4aZ,8aZ,12aZ,16aZ)-1,4,5,8,9,12,13,16-octamethoxytetraphenylene
CID 53328080
1-(4-chlorophenoxy)-2-fluoro-4-[(E)-2-methoxyethenyl]benzene
CID 167461303
3-iodo-4-methoxy-N,N-dimethylaniline
CID 131552436
2-iodo-1-methoxy-4-propan-2-ylbenzene
CID 90221993
2-methoxy-5-prop-1-enylaniline
CID 853489
3-[(E)-2-methoxyethenyl]aniline
CID 71681260

Frequently Asked Questions

What is the IUPAC name of 2-iodo-1-methoxy-4-[(E)-2-methoxyethenyl]benzene?
The IUPAC name of 2-iodo-1-methoxy-4-[(E)-2-methoxyethenyl]benzene (CID 155006658) is 2-iodo-1-methoxy-4-[(E)-2-methoxyethenyl]benzene.
What is the SMILES notation for 2-iodo-1-methoxy-4-[(E)-2-methoxyethenyl]benzene?
The canonical SMILES for 2-iodo-1-methoxy-4-[(E)-2-methoxyethenyl]benzene is CO/C=C/c1ccc(OC)c(I)c1.
What is the InChIKey of 2-iodo-1-methoxy-4-[(E)-2-methoxyethenyl]benzene?
The InChIKey is RTUCAJFOYLZXKO-AATRIKPKSA-N. The full InChI is InChI=1S/C10H11IO2/c1-12-6-5-8-3-4-10(13-2)9(11)7-8/h3-7H,1-2H3/b6-5+.
What are the key properties of 2-iodo-1-methoxy-4-[(E)-2-methoxyethenyl]benzene?
2-iodo-1-methoxy-4-[(E)-2-methoxyethenyl]benzene has a molecular weight of 290.10 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-1-methoxy-4-[(E)-2-methoxyethenyl]benzene is sourced from PubChem (CID 155006658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).