1,2,4,5-tetrachloro-3-iodo-6-methoxybenzene

C7H3Cl4IO — CID 86035414

IUPAC1,2,4,5-tetrachloro-3-iodo-6-methoxybenzene
SMILESCOc1c(Cl)c(Cl)c(I)c(Cl)c1Cl
InChIInChI=1S/C7H3Cl4IO/c1-13-7-4(10)2(8)6(12)3(9)5(7)11/h1H3
InChIKeyGQEZUBWHZIBHCY-UHFFFAOYSA-N
MW371.82 g/mol
LogP4.91
Rot. Bonds1

About 1,2,4,5-tetrachloro-3-iodo-6-methoxybenzene

1,2,4,5-tetrachloro-3-iodo-6-methoxybenzene (PubChem CID 86035414) has the molecular formula C7H3Cl4IO and a molecular weight of 371.82 g/mol. Its IUPAC name is 1,2,4,5-tetrachloro-3-iodo-6-methoxybenzene.

Molecular Properties

Compound Name1,2,4,5-tetrachloro-3-iodo-6-methoxybenzene
PubChem CID86035414
Molecular FormulaC7H3Cl4IO
Molecular Weight371.82 g/mol
Exact Mass369.80
IUPAC Name1,2,4,5-tetrachloro-3-iodo-6-methoxybenzene
SMILESCOc1c(Cl)c(Cl)c(I)c(Cl)c1Cl
InChIInChI=1S/C7H3Cl4IO/c1-13-7-4(10)2(8)6(12)3(9)5(7)11/h1H3
InChIKeyGQEZUBWHZIBHCY-UHFFFAOYSA-N
XLogP4.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1,2,3,4,5-pentachloro-6-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
CID 129318206
1-bromo-2,3,5,6-tetrachloro-4-methoxybenzene
CID 91748514
1,3,5-triiodo-2,4,6-trimethoxybenzene
CID 15832239
1-chloro-3-fluoro-2-iodo-4,6-dimethoxy-5-methylbenzene
CID 139324179
1,2-dichloro-3,4,5-trimethoxy-6-methylbenzene
CID 173127385
1,3-dichloro-2-ethyl-4,5,6-trimethoxybenzene
CID 134197646
1,2-dichloro-3,4,5-trifluoro-6-methoxybenzene
CID 130926131
methane;1,2,4,5-tetrachloro-3,6-dimethoxybenzene;1,2,4,5-tetrachloro-3,6-dimethylbenzene;1,2,4,5-tetrachloro-3-methoxy-6-(2,3,5,6-tetrachloro-4-methoxyphenoxy)benzene;1,2,4,5-tetrachloro-3-methoxy-6-(2,3,5,6-tetrachloro-4-methoxyphenyl)benzene;1,2,4,5-tetrachloro-3-methyl-6-(2,3,5,6-tetrachloro-4-methylphenyl)benzene
CID 161453587
1,2,4-trichloro-3,6-dimethoxy-5-nitrobenzene
CID 625283
1-iodo-2,5-dimethoxy-3,4,6-trimethylbenzene
CID 11822906
2,4-dichloro-6-iodo-3-methoxyaniline
CID 171519391
1,2-dichloro-3,4,6-trifluoro-5-methoxybenzene
CID 71389282

Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetrachloro-3-iodo-6-methoxybenzene?
The IUPAC name of 1,2,4,5-tetrachloro-3-iodo-6-methoxybenzene (CID 86035414) is 1,2,4,5-tetrachloro-3-iodo-6-methoxybenzene.
What is the SMILES notation for 1,2,4,5-tetrachloro-3-iodo-6-methoxybenzene?
The canonical SMILES for 1,2,4,5-tetrachloro-3-iodo-6-methoxybenzene is COc1c(Cl)c(Cl)c(I)c(Cl)c1Cl.
What is the InChIKey of 1,2,4,5-tetrachloro-3-iodo-6-methoxybenzene?
The InChIKey is GQEZUBWHZIBHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl4IO/c1-13-7-4(10)2(8)6(12)3(9)5(7)11/h1H3.
What are the key properties of 1,2,4,5-tetrachloro-3-iodo-6-methoxybenzene?
1,2,4,5-tetrachloro-3-iodo-6-methoxybenzene has a molecular weight of 371.82 g/mol, XLogP of 4.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5-tetrachloro-3-iodo-6-methoxybenzene is sourced from PubChem (CID 86035414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).