1-iodo-4,5-dimethoxy-2,3-dimethylbenzene

C10H13IO2 — CID 3257155

IUPAC1-iodo-4,5-dimethoxy-2,3-dimethylbenzene
SMILESCOc1cc(I)c(C)c(C)c1OC
InChIInChI=1S/C10H13IO2/c1-6-7(2)10(13-4)9(12-3)5-8(6)11/h5H,1-4H3
InChIKeyITOMHCJOKAMGHW-UHFFFAOYSA-N
MW292.12 g/mol
LogP2.93
Rot. Bonds2

About 1-iodo-4,5-dimethoxy-2,3-dimethylbenzene

1-iodo-4,5-dimethoxy-2,3-dimethylbenzene (PubChem CID 3257155) has the molecular formula C10H13IO2 and a molecular weight of 292.12 g/mol. Its IUPAC name is 1-iodo-4,5-dimethoxy-2,3-dimethylbenzene.

Molecular Properties

Compound Name1-iodo-4,5-dimethoxy-2,3-dimethylbenzene
PubChem CID3257155
Molecular FormulaC10H13IO2
Molecular Weight292.12 g/mol
Exact Mass292.00
IUPAC Name1-iodo-4,5-dimethoxy-2,3-dimethylbenzene
SMILESCOc1cc(I)c(C)c(C)c1OC
InChIInChI=1S/C10H13IO2/c1-6-7(2)10(13-4)9(12-3)5-8(6)11/h5H,1-4H3
InChIKeyITOMHCJOKAMGHW-UHFFFAOYSA-N
XLogP2.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.12
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-iodo-4,5-dimethoxy-3-methyl-2-phenylmethoxybenzene
CID 11143485
2,3,6,7-tetramethoxy-1-methylnaphthalene
CID 163473055
4,5-dimethoxy-3-methylbenzene-1,2-diamine
CID 13006980
4-(1-bromoethyl)-1,2-dimethoxy-3,5-dimethylbenzene
CID 174571134
2,5-dimethoxy-3,4-dimethylphenol
CID 84658444
2-(4,5-dimethoxy-2,3-dimethylphenyl)triazole
CID 118149760
4-iodo-6,7-dimethoxy-1-benzothiophene
CID 131033981
1,2,3,4-tetraiodo-5-methoxybenzene
CID 163208160
2-(4,5-dimethoxy-2,3-dimethylphenyl)-2-methylpropan-1-ol
CID 117349580
1-(4,5-dimethoxy-2,3-dimethylphenyl)propan-2-amine
CID 117320597
ethyl 3,4,5-trimethoxybenzoate;1-iodo-2,3,4,5-tetramethylbenzene
CID 123134211
5-(fluoromethyl)-1-iodo-2,3-dimethoxybenzene
CID 118818993

Frequently Asked Questions

What is the IUPAC name of 1-iodo-4,5-dimethoxy-2,3-dimethylbenzene?
The IUPAC name of 1-iodo-4,5-dimethoxy-2,3-dimethylbenzene (CID 3257155) is 1-iodo-4,5-dimethoxy-2,3-dimethylbenzene.
What is the SMILES notation for 1-iodo-4,5-dimethoxy-2,3-dimethylbenzene?
The canonical SMILES for 1-iodo-4,5-dimethoxy-2,3-dimethylbenzene is COc1cc(I)c(C)c(C)c1OC.
What is the InChIKey of 1-iodo-4,5-dimethoxy-2,3-dimethylbenzene?
The InChIKey is ITOMHCJOKAMGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IO2/c1-6-7(2)10(13-4)9(12-3)5-8(6)11/h5H,1-4H3.
What are the key properties of 1-iodo-4,5-dimethoxy-2,3-dimethylbenzene?
1-iodo-4,5-dimethoxy-2,3-dimethylbenzene has a molecular weight of 292.12 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-4,5-dimethoxy-2,3-dimethylbenzene is sourced from PubChem (CID 3257155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).