2-iodo-1-methoxy-3-(methoxymethoxy)-5-methylbenzene

C10H13IO3 — CID 164886491

IUPAC2-iodo-1-methoxy-3-(methoxymethoxy)-5-methylbenzene
SMILESCOCOc1cc(C)cc(OC)c1I
InChIInChI=1S/C10H13IO3/c1-7-4-8(13-3)10(11)9(5-7)14-6-12-2/h4-5H,6H2,1-3H3
InChIKeyRMBNZSFYSMIEFS-UHFFFAOYSA-N
MW308.12 g/mol
LogP2.59
Rot. Bonds4

About 2-iodo-1-methoxy-3-(methoxymethoxy)-5-methylbenzene

2-iodo-1-methoxy-3-(methoxymethoxy)-5-methylbenzene (PubChem CID 164886491) has the molecular formula C10H13IO3 and a molecular weight of 308.12 g/mol. Its IUPAC name is 2-iodo-1-methoxy-3-(methoxymethoxy)-5-methylbenzene.

Molecular Properties

Compound Name2-iodo-1-methoxy-3-(methoxymethoxy)-5-methylbenzene
PubChem CID164886491
Molecular FormulaC10H13IO3
Molecular Weight308.12 g/mol
Exact Mass307.99
IUPAC Name2-iodo-1-methoxy-3-(methoxymethoxy)-5-methylbenzene
SMILESCOCOc1cc(C)cc(OC)c1I
InChIInChI=1S/C10H13IO3/c1-7-4-8(13-3)10(11)9(5-7)14-6-12-2/h4-5H,6H2,1-3H3
InChIKeyRMBNZSFYSMIEFS-UHFFFAOYSA-N
XLogP2.59
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.12
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 2-iodo-1-methoxy-3-(methoxymethoxy)-5-methylbenzene?
The IUPAC name of 2-iodo-1-methoxy-3-(methoxymethoxy)-5-methylbenzene (CID 164886491) is 2-iodo-1-methoxy-3-(methoxymethoxy)-5-methylbenzene.
What is the SMILES notation for 2-iodo-1-methoxy-3-(methoxymethoxy)-5-methylbenzene?
The canonical SMILES for 2-iodo-1-methoxy-3-(methoxymethoxy)-5-methylbenzene is COCOc1cc(C)cc(OC)c1I.
What is the InChIKey of 2-iodo-1-methoxy-3-(methoxymethoxy)-5-methylbenzene?
The InChIKey is RMBNZSFYSMIEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IO3/c1-7-4-8(13-3)10(11)9(5-7)14-6-12-2/h4-5H,6H2,1-3H3.
What are the key properties of 2-iodo-1-methoxy-3-(methoxymethoxy)-5-methylbenzene?
2-iodo-1-methoxy-3-(methoxymethoxy)-5-methylbenzene has a molecular weight of 308.12 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-1-methoxy-3-(methoxymethoxy)-5-methylbenzene is sourced from PubChem (CID 164886491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).