1-[bis(5-iodo-2-methoxy-3-methylphenyl)methyl]-5-iodo-2-methoxy-3-methylbenzene

C25H25I3O3 — CID 177485040

IUPAC1-[bis(5-iodo-2-methoxy-3-methylphenyl)methyl]-5-iodo-2-methoxy-3-methylbenzene
SMILESCOc1c(C)cc(I)cc1C(c1cc(I)cc(C)c1OC)c1cc(I)cc(C)c1OC
InChIInChI=1S/C25H25I3O3/c1-13-7-16(26)10-19(23(13)29-4)22(20-11-17(27)8-14(2)24(20)30-5)21-12-18(28)9-15(3)25(21)31-6/h7-12,22H,1-6H3
InChIKeyFZUFSZLMAUQBBG-UHFFFAOYSA-N
MW754.18 g/mol
LogP7.63
Rot. Bonds6

About 1-[bis(5-iodo-2-methoxy-3-methylphenyl)methyl]-5-iodo-2-methoxy-3-methylbenzene

1-[bis(5-iodo-2-methoxy-3-methylphenyl)methyl]-5-iodo-2-methoxy-3-methylbenzene (PubChem CID 177485040) has the molecular formula C25H25I3O3 and a molecular weight of 754.18 g/mol. Its IUPAC name is 1-[bis(5-iodo-2-methoxy-3-methylphenyl)methyl]-5-iodo-2-methoxy-3-methylbenzene.

Molecular Properties

Compound Name1-[bis(5-iodo-2-methoxy-3-methylphenyl)methyl]-5-iodo-2-methoxy-3-methylbenzene
PubChem CID177485040
Molecular FormulaC25H25I3O3
Molecular Weight754.18 g/mol
Exact Mass753.89
IUPAC Name1-[bis(5-iodo-2-methoxy-3-methylphenyl)methyl]-5-iodo-2-methoxy-3-methylbenzene
SMILESCOc1c(C)cc(I)cc1C(c1cc(I)cc(C)c1OC)c1cc(I)cc(C)c1OC
InChIInChI=1S/C25H25I3O3/c1-13-7-16(26)10-19(23(13)29-4)22(20-11-17(27)8-14(2)24(20)30-5)21-12-18(28)9-15(3)25(21)31-6/h7-12,22H,1-6H3
InChIKeyFZUFSZLMAUQBBG-UHFFFAOYSA-N
XLogP7.63
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.18
LogP ≤ 57.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-2-methoxy-3-methylbenzoate
CID 131739020
2-methoxy-1,5-dimethyl-3-propan-2-ylbenzene
CID 149196721
4-iodo-2-methyl-6-propan-2-ylphenol
CID 158347336
4-methoxy-3,5-dimethylphenol
CID 643378
1-benzhydryl-5-tert-butyl-2-methoxy-3-methylbenzene;ethane
CID 145349337
ethane;2-methoxy-1,3,5-trimethylbenzene
CID 142174927
amino-(5-chloro-2-methoxy-3-methylphenyl)methanethiol
CID 116939486
(4-methoxy-3-methyl-5-propan-2-ylphenyl)methanamine
CID 84665068
2-[(1S)-1,2-diaminoethyl]-4-iodo-6-methylphenol
CID 131026853
1-(2-methoxy-3,5-dimethylphenyl)-N',N'-dimethylmethanediamine
CID 116909094
3-(4-methoxy-3-methyl-5-propan-2-ylphenyl)butan-1-amine
CID 117343733
4-chloro-4-(2-methoxy-3,5-dimethylphenyl)butan-1-ol
CID 82366992

Frequently Asked Questions

What is the IUPAC name of 1-[bis(5-iodo-2-methoxy-3-methylphenyl)methyl]-5-iodo-2-methoxy-3-methylbenzene?
The IUPAC name of 1-[bis(5-iodo-2-methoxy-3-methylphenyl)methyl]-5-iodo-2-methoxy-3-methylbenzene (CID 177485040) is 1-[bis(5-iodo-2-methoxy-3-methylphenyl)methyl]-5-iodo-2-methoxy-3-methylbenzene.
What is the SMILES notation for 1-[bis(5-iodo-2-methoxy-3-methylphenyl)methyl]-5-iodo-2-methoxy-3-methylbenzene?
The canonical SMILES for 1-[bis(5-iodo-2-methoxy-3-methylphenyl)methyl]-5-iodo-2-methoxy-3-methylbenzene is COc1c(C)cc(I)cc1C(c1cc(I)cc(C)c1OC)c1cc(I)cc(C)c1OC.
What is the InChIKey of 1-[bis(5-iodo-2-methoxy-3-methylphenyl)methyl]-5-iodo-2-methoxy-3-methylbenzene?
The InChIKey is FZUFSZLMAUQBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25I3O3/c1-13-7-16(26)10-19(23(13)29-4)22(20-11-17(27)8-14(2)24(20)30-5)21-12-18(28)9-15(3)25(21)31-6/h7-12,22H,1-6H3.
What are the key properties of 1-[bis(5-iodo-2-methoxy-3-methylphenyl)methyl]-5-iodo-2-methoxy-3-methylbenzene?
1-[bis(5-iodo-2-methoxy-3-methylphenyl)methyl]-5-iodo-2-methoxy-3-methylbenzene has a molecular weight of 754.18 g/mol, XLogP of 7.63, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(5-iodo-2-methoxy-3-methylphenyl)methyl]-5-iodo-2-methoxy-3-methylbenzene is sourced from PubChem (CID 177485040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).