(2,2-diiodo-1-propan-2-yloxyethenyl)benzene

C11H12I2O — CID 14092920

IUPAC(2,2-diiodo-1-propan-2-yloxyethenyl)benzene
SMILESCC(C)OC(=C(I)I)c1ccccc1
InChIInChI=1S/C11H12I2O/c1-8(2)14-10(11(12)13)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKeyRJLASQAQMFNMBN-UHFFFAOYSA-N
MW414.02 g/mol
LogP4.61
Rot. Bonds3

About (2,2-diiodo-1-propan-2-yloxyethenyl)benzene

(2,2-diiodo-1-propan-2-yloxyethenyl)benzene (PubChem CID 14092920) has the molecular formula C11H12I2O and a molecular weight of 414.02 g/mol. Its IUPAC name is (2,2-diiodo-1-propan-2-yloxyethenyl)benzene.

Molecular Properties

Compound Name(2,2-diiodo-1-propan-2-yloxyethenyl)benzene
PubChem CID14092920
Molecular FormulaC11H12I2O
Molecular Weight414.02 g/mol
Exact Mass413.90
IUPAC Name(2,2-diiodo-1-propan-2-yloxyethenyl)benzene
SMILESCC(C)OC(=C(I)I)c1ccccc1
InChIInChI=1S/C11H12I2O/c1-8(2)14-10(11(12)13)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKeyRJLASQAQMFNMBN-UHFFFAOYSA-N
XLogP4.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.02
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

methyl 3-phenyl-2,3-di(propan-2-yloxy)prop-2-enoate
CID 139724579
[(E)-1,3,3,3-tetrafluoro-1-propan-2-yloxyprop-1-en-2-yl]benzene
CID 10729195
propan-2-yl (Z)-4-hydroxy-2-oxo-4-phenylbut-3-enoate
CID 82627877
CID 10876024
CID 10876024
[2-methyl-1-(2-methyl-1-phenylprop-1-enoxy)prop-1-enyl]benzene
CID 57127661
propan-2-yl 4-benzoyloxybenzoate
CID 17160844
propan-2-yl 2-benzoylsulfanylpropanoate
CID 71435819
propan-2-yl 4-phenyldiazenylbenzoate
CID 89049072
propan-2-yl N-(1-oxo-1-phenylpropan-2-yl)carbamate
CID 139904871
(Z)-2-iodo-3-methoxy-1,3-diphenylprop-2-en-1-one
CID 102130770
propan-2-yl N-phenyl-N-propan-2-ylcarbamate
CID 71384721
[(2R)-1-oxo-1-phenylpropan-2-yl] 2-oxo-2-phenylacetate
CID 139185945

Frequently Asked Questions

What is the IUPAC name of (2,2-diiodo-1-propan-2-yloxyethenyl)benzene?
The IUPAC name of (2,2-diiodo-1-propan-2-yloxyethenyl)benzene (CID 14092920) is (2,2-diiodo-1-propan-2-yloxyethenyl)benzene.
What is the SMILES notation for (2,2-diiodo-1-propan-2-yloxyethenyl)benzene?
The canonical SMILES for (2,2-diiodo-1-propan-2-yloxyethenyl)benzene is CC(C)OC(=C(I)I)c1ccccc1.
What is the InChIKey of (2,2-diiodo-1-propan-2-yloxyethenyl)benzene?
The InChIKey is RJLASQAQMFNMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12I2O/c1-8(2)14-10(11(12)13)9-6-4-3-5-7-9/h3-8H,1-2H3.
What are the key properties of (2,2-diiodo-1-propan-2-yloxyethenyl)benzene?
(2,2-diiodo-1-propan-2-yloxyethenyl)benzene has a molecular weight of 414.02 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-diiodo-1-propan-2-yloxyethenyl)benzene is sourced from PubChem (CID 14092920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).