[2-iodo-3-(2-iodo-3-phenylpropoxy)propyl]benzene

C18H20I2O — CID 68563937

IUPAC[2-iodo-3-(2-iodo-3-phenylpropoxy)propyl]benzene
SMILESIC(COCC(I)Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H20I2O/c19-17(11-15-7-3-1-4-8-15)13-21-14-18(20)12-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2
InChIKeyUWNYDMNXUNFZPJ-UHFFFAOYSA-N
MW506.17 g/mol
LogP5.10
Rot. Bonds8

About [2-iodo-3-(2-iodo-3-phenylpropoxy)propyl]benzene

[2-iodo-3-(2-iodo-3-phenylpropoxy)propyl]benzene (PubChem CID 68563937) has the molecular formula C18H20I2O and a molecular weight of 506.17 g/mol. Its IUPAC name is [2-iodo-3-(2-iodo-3-phenylpropoxy)propyl]benzene.

Molecular Properties

Compound Name[2-iodo-3-(2-iodo-3-phenylpropoxy)propyl]benzene
PubChem CID68563937
Molecular FormulaC18H20I2O
Molecular Weight506.17 g/mol
Exact Mass505.96
IUPAC Name[2-iodo-3-(2-iodo-3-phenylpropoxy)propyl]benzene
SMILESIC(COCC(I)Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H20I2O/c19-17(11-15-7-3-1-4-8-15)13-21-14-18(20)12-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2
InChIKeyUWNYDMNXUNFZPJ-UHFFFAOYSA-N
XLogP5.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.17
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-iodobutylbenzene
CID 11196235
[(2R)-2-fluoro-2-iodoethyl]benzene
CID 124672761
(2-benzyl-3-phenylmethoxypropoxy)methylbenzene
CID 139384668
1,3-diphenylpropan-2-yloxybenzene
CID 54221058
1-phenyl-3-phenylmethoxypropan-2-amine
CID 12815227
(2R)-2-iodo-3-phenylpropanal
CID 53487128
(2R)-2-iodo-3-phenylpropanoic acid
CID 98007642
1-phenoxy-2-phenylethanol
CID 54118978
1,3-diphenylpropan-2-ylsilane
CID 123615026
1,3-diphenylpropan-2-ylazanium chloride
CID 67842912
[(2R)-2-chloro-2-[(1S)-1-chloro-2-phenylethoxy]ethyl]benzene
CID 98043941
1-phenyl-3-(2-phenylethoxy)propan-2-ol
CID 150542863

Frequently Asked Questions

What is the IUPAC name of [2-iodo-3-(2-iodo-3-phenylpropoxy)propyl]benzene?
The IUPAC name of [2-iodo-3-(2-iodo-3-phenylpropoxy)propyl]benzene (CID 68563937) is [2-iodo-3-(2-iodo-3-phenylpropoxy)propyl]benzene.
What is the SMILES notation for [2-iodo-3-(2-iodo-3-phenylpropoxy)propyl]benzene?
The canonical SMILES for [2-iodo-3-(2-iodo-3-phenylpropoxy)propyl]benzene is IC(COCC(I)Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of [2-iodo-3-(2-iodo-3-phenylpropoxy)propyl]benzene?
The InChIKey is UWNYDMNXUNFZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20I2O/c19-17(11-15-7-3-1-4-8-15)13-21-14-18(20)12-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2.
What are the key properties of [2-iodo-3-(2-iodo-3-phenylpropoxy)propyl]benzene?
[2-iodo-3-(2-iodo-3-phenylpropoxy)propyl]benzene has a molecular weight of 506.17 g/mol, XLogP of 5.10, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-iodo-3-(2-iodo-3-phenylpropoxy)propyl]benzene is sourced from PubChem (CID 68563937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).