1-iodo-5-(5-iodo-2,3,4-trimethoxy-6-methylphenyl)-2,3,4-trimethoxy-6-methylbenzene

C20H24I2O6 — CID 20758552

IUPAC1-iodo-5-(5-iodo-2,3,4-trimethoxy-6-methylphenyl)-2,3,4-trimethoxy-6-methylbenzene
SMILESCOc1c(I)c(C)c(-c2c(C)c(I)c(OC)c(OC)c2OC)c(OC)c1OC
InChIInChI=1S/C20H24I2O6/c1-9-11(15(23-3)19(27-7)17(25-5)13(9)21)12-10(2)14(22)18(26-6)20(28-8)16(12)24-4/h1-8H3
InChIKeyIMNWOJVZSWCONW-UHFFFAOYSA-N
MW614.21 g/mol
LogP5.23
Rot. Bonds7

About 1-iodo-5-(5-iodo-2,3,4-trimethoxy-6-methylphenyl)-2,3,4-trimethoxy-6-methylbenzene

1-iodo-5-(5-iodo-2,3,4-trimethoxy-6-methylphenyl)-2,3,4-trimethoxy-6-methylbenzene (PubChem CID 20758552) has the molecular formula C20H24I2O6 and a molecular weight of 614.21 g/mol. Its IUPAC name is 1-iodo-5-(5-iodo-2,3,4-trimethoxy-6-methylphenyl)-2,3,4-trimethoxy-6-methylbenzene.

Molecular Properties

Compound Name1-iodo-5-(5-iodo-2,3,4-trimethoxy-6-methylphenyl)-2,3,4-trimethoxy-6-methylbenzene
PubChem CID20758552
Molecular FormulaC20H24I2O6
Molecular Weight614.21 g/mol
Exact Mass613.97
IUPAC Name1-iodo-5-(5-iodo-2,3,4-trimethoxy-6-methylphenyl)-2,3,4-trimethoxy-6-methylbenzene
SMILESCOc1c(I)c(C)c(-c2c(C)c(I)c(OC)c(OC)c2OC)c(OC)c1OC
InChIInChI=1S/C20H24I2O6/c1-9-11(15(23-3)19(27-7)17(25-5)13(9)21)12-10(2)14(22)18(26-6)20(28-8)16(12)24-4/h1-8H3
InChIKeyIMNWOJVZSWCONW-UHFFFAOYSA-N
XLogP5.23
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.21
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-iodo-2,5-dimethoxy-3,4,6-trimethylbenzene
CID 11822906
1,3,5-triiodo-2,4,6-trimethoxybenzene
CID 15832239
1-iodo-4,5-dimethoxy-2,3-dimethylbenzene
CID 3257155
2,4,6-triiodo-3-methoxy-5-methylbenzoyl chloride
CID 18439224
2-methoxy-1-(2-methoxy-3,4,5,6,7,8-hexamethylnaphthalen-1-yl)-3,4,5,6,7,8-hexamethylnaphthalene;1-methoxy-2-(2-methoxy-3,4,5,6-tetramethylphenyl)-3,4,5,6-tetramethylbenzene
CID 91034834
methane;1-methoxy-2,3,4,5,6-pentamethylbenzene
CID 157181904
1-chloro-3-fluoro-2-iodo-4,6-dimethoxy-5-methylbenzene
CID 139324179
1,2,4,5-tetrachloro-3-iodo-6-methoxybenzene
CID 86035414
1,3-diiodo-2-methoxybenzene
CID 12610037
1-bromo-5-(5-bromo-2,3,4-trimethoxy-6-methylphenyl)-2,3,4-trimethoxy-6-methylbenzene;1,2,3-trimethoxy-5-methyl-4-(2,3,4-trimethoxy-6-methylphenyl)benzene
CID 157222020
1,2-dichloro-3,4,5-trimethoxy-6-methylbenzene
CID 173127385
1,2,4,5-tetramethoxy-3-methyl-6-phenylbenzene
CID 90709146

Frequently Asked Questions

What is the IUPAC name of 1-iodo-5-(5-iodo-2,3,4-trimethoxy-6-methylphenyl)-2,3,4-trimethoxy-6-methylbenzene?
The IUPAC name of 1-iodo-5-(5-iodo-2,3,4-trimethoxy-6-methylphenyl)-2,3,4-trimethoxy-6-methylbenzene (CID 20758552) is 1-iodo-5-(5-iodo-2,3,4-trimethoxy-6-methylphenyl)-2,3,4-trimethoxy-6-methylbenzene.
What is the SMILES notation for 1-iodo-5-(5-iodo-2,3,4-trimethoxy-6-methylphenyl)-2,3,4-trimethoxy-6-methylbenzene?
The canonical SMILES for 1-iodo-5-(5-iodo-2,3,4-trimethoxy-6-methylphenyl)-2,3,4-trimethoxy-6-methylbenzene is COc1c(I)c(C)c(-c2c(C)c(I)c(OC)c(OC)c2OC)c(OC)c1OC.
What is the InChIKey of 1-iodo-5-(5-iodo-2,3,4-trimethoxy-6-methylphenyl)-2,3,4-trimethoxy-6-methylbenzene?
The InChIKey is IMNWOJVZSWCONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24I2O6/c1-9-11(15(23-3)19(27-7)17(25-5)13(9)21)12-10(2)14(22)18(26-6)20(28-8)16(12)24-4/h1-8H3.
What are the key properties of 1-iodo-5-(5-iodo-2,3,4-trimethoxy-6-methylphenyl)-2,3,4-trimethoxy-6-methylbenzene?
1-iodo-5-(5-iodo-2,3,4-trimethoxy-6-methylphenyl)-2,3,4-trimethoxy-6-methylbenzene has a molecular weight of 614.21 g/mol, XLogP of 5.23, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-5-(5-iodo-2,3,4-trimethoxy-6-methylphenyl)-2,3,4-trimethoxy-6-methylbenzene is sourced from PubChem (CID 20758552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).