1,2-dichloro-4-iodo-3-(methoxymethoxy)benzene

C8H7Cl2IO2 — CID 171367855

IUPAC1,2-dichloro-4-iodo-3-(methoxymethoxy)benzene
SMILESCOCOc1c(I)ccc(Cl)c1Cl
InChIInChI=1S/C8H7Cl2IO2/c1-12-4-13-8-6(11)3-2-5(9)7(8)10/h2-3H,4H2,1H3
InChIKeyWJFFFAPUQJZORW-UHFFFAOYSA-N
MW332.95 g/mol
LogP3.58
Rot. Bonds3

About 1,2-dichloro-4-iodo-3-(methoxymethoxy)benzene

1,2-dichloro-4-iodo-3-(methoxymethoxy)benzene (PubChem CID 171367855) has the molecular formula C8H7Cl2IO2 and a molecular weight of 332.95 g/mol. Its IUPAC name is 1,2-dichloro-4-iodo-3-(methoxymethoxy)benzene.

Molecular Properties

Compound Name1,2-dichloro-4-iodo-3-(methoxymethoxy)benzene
PubChem CID171367855
Molecular FormulaC8H7Cl2IO2
Molecular Weight332.95 g/mol
Exact Mass331.89
IUPAC Name1,2-dichloro-4-iodo-3-(methoxymethoxy)benzene
SMILESCOCOc1c(I)ccc(Cl)c1Cl
InChIInChI=1S/C8H7Cl2IO2/c1-12-4-13-8-6(11)3-2-5(9)7(8)10/h2-3H,4H2,1H3
InChIKeyWJFFFAPUQJZORW-UHFFFAOYSA-N
XLogP3.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.95
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-iodo-3-(methoxymethoxy)benzene?
The IUPAC name of 1,2-dichloro-4-iodo-3-(methoxymethoxy)benzene (CID 171367855) is 1,2-dichloro-4-iodo-3-(methoxymethoxy)benzene.
What is the SMILES notation for 1,2-dichloro-4-iodo-3-(methoxymethoxy)benzene?
The canonical SMILES for 1,2-dichloro-4-iodo-3-(methoxymethoxy)benzene is COCOc1c(I)ccc(Cl)c1Cl.
What is the InChIKey of 1,2-dichloro-4-iodo-3-(methoxymethoxy)benzene?
The InChIKey is WJFFFAPUQJZORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2IO2/c1-12-4-13-8-6(11)3-2-5(9)7(8)10/h2-3H,4H2,1H3.
What are the key properties of 1,2-dichloro-4-iodo-3-(methoxymethoxy)benzene?
1,2-dichloro-4-iodo-3-(methoxymethoxy)benzene has a molecular weight of 332.95 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-iodo-3-(methoxymethoxy)benzene is sourced from PubChem (CID 171367855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).