2-iodo-4-methoxy-1-(methoxymethoxy)benzene

C9H11IO3 — CID 171366957

IUPAC2-iodo-4-methoxy-1-(methoxymethoxy)benzene
SMILESCOCOc1ccc(OC)cc1I
InChIInChI=1S/C9H11IO3/c1-11-6-13-9-4-3-7(12-2)5-8(9)10/h3-5H,6H2,1-2H3
InChIKeyQFNRSARPAVYWDR-UHFFFAOYSA-N
MW294.09 g/mol
LogP2.28
Rot. Bonds4

About 2-iodo-4-methoxy-1-(methoxymethoxy)benzene

2-iodo-4-methoxy-1-(methoxymethoxy)benzene (PubChem CID 171366957) has the molecular formula C9H11IO3 and a molecular weight of 294.09 g/mol. Its IUPAC name is 2-iodo-4-methoxy-1-(methoxymethoxy)benzene.

Molecular Properties

Compound Name2-iodo-4-methoxy-1-(methoxymethoxy)benzene
PubChem CID171366957
Molecular FormulaC9H11IO3
Molecular Weight294.09 g/mol
Exact Mass293.98
IUPAC Name2-iodo-4-methoxy-1-(methoxymethoxy)benzene
SMILESCOCOc1ccc(OC)cc1I
InChIInChI=1S/C9H11IO3/c1-11-6-13-9-4-3-7(12-2)5-8(9)10/h3-5H,6H2,1-2H3
InChIKeyQFNRSARPAVYWDR-UHFFFAOYSA-N
XLogP2.28
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.09
LogP ≤ 52.28
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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Related Compounds

2-ethoxy-4-methoxy-1-(methoxymethoxy)benzene
CID 118066872
[5-methoxy-2-(methoxymethoxy)phenyl]boronic acid
CID 112694276
1-but-3-enoxy-2-iodo-4-methoxybenzene
CID 121219828
2-butyl-4-methoxy-1-(methoxymethoxy)benzene
CID 139851851
4-iodo-2-methoxy-5-(methoxymethoxy)pyridine
CID 12027785
1,4-bis(methoxymethoxy)benzene
CID 542643
[5-methoxy-2-(methoxymethoxy)phenyl]-diphenylmethanol
CID 142656877
N-[[5-methoxy-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine
CID 65365198
methyl 2-[3-iodo-4-[4-(methoxymethoxy)phenoxy]phenyl]acetate
CID 11568117
N,2-diiodo-4-methoxyaniline
CID 162265353
2-iodo-4-methoxy-N-methylaniline
CID 11010799
1-[5-iodo-2,4-bis(methoxymethoxy)phenyl]ethanone
CID 102126873

Frequently Asked Questions

What is the IUPAC name of 2-iodo-4-methoxy-1-(methoxymethoxy)benzene?
The IUPAC name of 2-iodo-4-methoxy-1-(methoxymethoxy)benzene (CID 171366957) is 2-iodo-4-methoxy-1-(methoxymethoxy)benzene.
What is the SMILES notation for 2-iodo-4-methoxy-1-(methoxymethoxy)benzene?
The canonical SMILES for 2-iodo-4-methoxy-1-(methoxymethoxy)benzene is COCOc1ccc(OC)cc1I.
What is the InChIKey of 2-iodo-4-methoxy-1-(methoxymethoxy)benzene?
The InChIKey is QFNRSARPAVYWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11IO3/c1-11-6-13-9-4-3-7(12-2)5-8(9)10/h3-5H,6H2,1-2H3.
What are the key properties of 2-iodo-4-methoxy-1-(methoxymethoxy)benzene?
2-iodo-4-methoxy-1-(methoxymethoxy)benzene has a molecular weight of 294.09 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-4-methoxy-1-(methoxymethoxy)benzene is sourced from PubChem (CID 171366957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).