[[4-iodo-4-(2-iodoethoxy)butoxy]-diphenylmethyl]benzene

C25H26I2O2 — CID 23208471

IUPAC[[4-iodo-4-(2-iodoethoxy)butoxy]-diphenylmethyl]benzene
SMILESICCOC(I)CCCOC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H26I2O2/c26-18-20-28-24(27)17-10-19-29-25(21-11-4-1-5-12-21,22-13-6-2-7-14-22)23-15-8-3-9-16-23/h1-9,11-16,24H,10,17-20H2
InChIKeyUFJBDUPVCYYWLK-UHFFFAOYSA-N
MW612.29 g/mol
LogP6.99
Rot. Bonds11

About [[4-iodo-4-(2-iodoethoxy)butoxy]-diphenylmethyl]benzene

[[4-iodo-4-(2-iodoethoxy)butoxy]-diphenylmethyl]benzene (PubChem CID 23208471) has the molecular formula C25H26I2O2 and a molecular weight of 612.29 g/mol. Its IUPAC name is [[4-iodo-4-(2-iodoethoxy)butoxy]-diphenylmethyl]benzene.

Molecular Properties

Compound Name[[4-iodo-4-(2-iodoethoxy)butoxy]-diphenylmethyl]benzene
PubChem CID23208471
Molecular FormulaC25H26I2O2
Molecular Weight612.29 g/mol
Exact Mass612.00
IUPAC Name[[4-iodo-4-(2-iodoethoxy)butoxy]-diphenylmethyl]benzene
SMILESICCOC(I)CCCOC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H26I2O2/c26-18-20-28-24(27)17-10-19-29-25(21-11-4-1-5-12-21,22-13-6-2-7-14-22)23-15-8-3-9-16-23/h1-9,11-16,24H,10,17-20H2
InChIKeyUFJBDUPVCYYWLK-UHFFFAOYSA-N
XLogP6.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.29
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

(2S)-6-trityloxyhexane-1,2-diol
CID 100961940
1,5-ditrityloxypentan-3-ol
CID 140507927
(3S)-3-(methoxymethoxy)-7-trityloxyheptan-1-ol
CID 11070122
(2S)-2-hydroxy-6-trityloxyhexanenitrile
CID 101359506
1,4-ditrityloxybutan-2-ol
CID 13443283
heptakis([diphenyl(propoxy)methyl]benzene);2-trityloxyethanol
CID 159570808
[diphenyl(4-prop-2-enoxybutoxy)methyl]benzene
CID 11462923
(3S)-1-trityloxypentan-3-ol
CID 11163798
(2R)-1-amino-4-trityloxybutan-2-ol
CID 69243121
1-trityloxytetradecan-3-ol
CID 71342983
(3R)-1-trityloxytetradecan-3-ol
CID 15104977
3-[(2-methoxyphenyl)-diphenylmethoxy]propan-1-ol
CID 67427364

Frequently Asked Questions

What is the IUPAC name of [[4-iodo-4-(2-iodoethoxy)butoxy]-diphenylmethyl]benzene?
The IUPAC name of [[4-iodo-4-(2-iodoethoxy)butoxy]-diphenylmethyl]benzene (CID 23208471) is [[4-iodo-4-(2-iodoethoxy)butoxy]-diphenylmethyl]benzene.
What is the SMILES notation for [[4-iodo-4-(2-iodoethoxy)butoxy]-diphenylmethyl]benzene?
The canonical SMILES for [[4-iodo-4-(2-iodoethoxy)butoxy]-diphenylmethyl]benzene is ICCOC(I)CCCOC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [[4-iodo-4-(2-iodoethoxy)butoxy]-diphenylmethyl]benzene?
The InChIKey is UFJBDUPVCYYWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26I2O2/c26-18-20-28-24(27)17-10-19-29-25(21-11-4-1-5-12-21,22-13-6-2-7-14-22)23-15-8-3-9-16-23/h1-9,11-16,24H,10,17-20H2.
What are the key properties of [[4-iodo-4-(2-iodoethoxy)butoxy]-diphenylmethyl]benzene?
[[4-iodo-4-(2-iodoethoxy)butoxy]-diphenylmethyl]benzene has a molecular weight of 612.29 g/mol, XLogP of 6.99, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[4-iodo-4-(2-iodoethoxy)butoxy]-diphenylmethyl]benzene is sourced from PubChem (CID 23208471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).