2,5-diiodo-1-methoxy-3-prop-1-en-2-ylbenzene

C10H10I2O — CID 166018938

IUPAC2,5-diiodo-1-methoxy-3-prop-1-en-2-ylbenzene
SMILESC=C(C)c1cc(I)cc(OC)c1I
InChIInChI=1S/C10H10I2O/c1-6(2)8-4-7(11)5-9(13-3)10(8)12/h4-5H,1H2,2-3H3
InChIKeyZCPIZUDSXPZULG-UHFFFAOYSA-N
MW400.00 g/mol
LogP3.94
Rot. Bonds2

About 2,5-diiodo-1-methoxy-3-prop-1-en-2-ylbenzene

2,5-diiodo-1-methoxy-3-prop-1-en-2-ylbenzene (PubChem CID 166018938) has the molecular formula C10H10I2O and a molecular weight of 400.00 g/mol. Its IUPAC name is 2,5-diiodo-1-methoxy-3-prop-1-en-2-ylbenzene.

Molecular Properties

Compound Name2,5-diiodo-1-methoxy-3-prop-1-en-2-ylbenzene
PubChem CID166018938
Molecular FormulaC10H10I2O
Molecular Weight400.00 g/mol
Exact Mass399.88
IUPAC Name2,5-diiodo-1-methoxy-3-prop-1-en-2-ylbenzene
SMILESC=C(C)c1cc(I)cc(OC)c1I
InChIInChI=1S/C10H10I2O/c1-6(2)8-4-7(11)5-9(13-3)10(8)12/h4-5H,1H2,2-3H3
InChIKeyZCPIZUDSXPZULG-UHFFFAOYSA-N
XLogP3.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.00
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-diiodo-3-prop-1-en-2-ylphenoxy)-1,1,3,3,3-pentafluoropropane-1-sulfonic acid
CID 170225281
3-methoxy-N-methyl-4-prop-1-en-2-ylaniline
CID 143147515
CID 59316225
CID 59316225
methyl 2-iodo-3-methoxy-5-methylbenzoate
CID 14138386
2-chloro-5-iodo-3-methoxybenzoyl chloride
CID 171002829
2,6-diiodo-3,5-dimethoxyphenol
CID 10501483
2-(2-hydroxy-5-iodo-3-methoxyphenyl)-4-iodo-6-methoxyphenol
CID 135271643
2-(2,5-diiodo-3-methoxyphenyl)-2-hydroxyacetic acid
CID 118996626
N-(4,5-dimethoxy-2-prop-1-en-2-ylphenyl)formamide
CID 165346221
4-chloro-1-methoxy-2-prop-1-en-2-ylbenzene;ethane
CID 143014444
2-ethyl-5-iodo-1,3-dimethoxybenzene
CID 118819025
3-acetyl-4-iodo-5-methoxybenzonitrile
CID 171025299

Frequently Asked Questions

What is the IUPAC name of 2,5-diiodo-1-methoxy-3-prop-1-en-2-ylbenzene?
The IUPAC name of 2,5-diiodo-1-methoxy-3-prop-1-en-2-ylbenzene (CID 166018938) is 2,5-diiodo-1-methoxy-3-prop-1-en-2-ylbenzene.
What is the SMILES notation for 2,5-diiodo-1-methoxy-3-prop-1-en-2-ylbenzene?
The canonical SMILES for 2,5-diiodo-1-methoxy-3-prop-1-en-2-ylbenzene is C=C(C)c1cc(I)cc(OC)c1I.
What is the InChIKey of 2,5-diiodo-1-methoxy-3-prop-1-en-2-ylbenzene?
The InChIKey is ZCPIZUDSXPZULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10I2O/c1-6(2)8-4-7(11)5-9(13-3)10(8)12/h4-5H,1H2,2-3H3.
What are the key properties of 2,5-diiodo-1-methoxy-3-prop-1-en-2-ylbenzene?
2,5-diiodo-1-methoxy-3-prop-1-en-2-ylbenzene has a molecular weight of 400.00 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diiodo-1-methoxy-3-prop-1-en-2-ylbenzene is sourced from PubChem (CID 166018938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).