methyl 2-iodo-3-methoxy-5-methylbenzoate

C10H11IO3 — CID 14138386

IUPACmethyl 2-iodo-3-methoxy-5-methylbenzoate
SMILESCOC(=O)c1cc(C)cc(OC)c1I
InChIInChI=1S/C10H11IO3/c1-6-4-7(10(12)14-3)9(11)8(5-6)13-2/h4-5H,1-3H3
InChIKeyJRWRBSUJGSGHIH-UHFFFAOYSA-N
MW306.10 g/mol
LogP2.39
Rot. Bonds2

About methyl 2-iodo-3-methoxy-5-methylbenzoate

methyl 2-iodo-3-methoxy-5-methylbenzoate (PubChem CID 14138386) has the molecular formula C10H11IO3 and a molecular weight of 306.10 g/mol. Its IUPAC name is methyl 2-iodo-3-methoxy-5-methylbenzoate.

Molecular Properties

Compound Namemethyl 2-iodo-3-methoxy-5-methylbenzoate
PubChem CID14138386
Molecular FormulaC10H11IO3
Molecular Weight306.10 g/mol
Exact Mass305.98
IUPAC Namemethyl 2-iodo-3-methoxy-5-methylbenzoate
SMILESCOC(=O)c1cc(C)cc(OC)c1I
InChIInChI=1S/C10H11IO3/c1-6-4-7(10(12)14-3)9(11)8(5-6)13-2/h4-5H,1-3H3
InChIKeyJRWRBSUJGSGHIH-UHFFFAOYSA-N
XLogP2.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.10
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-cyano-2-iodo-5-methylbenzoate
CID 131212805
methyl 4,5-diiodo-2-methoxybenzoate
CID 130877100
methyl (2E)-5-methoxy-2-(5-methoxy-3-methoxycarbonyl-7-methyl-1,4-benzothiazin-2-ylidene)-7-methyl-1,4-benzothiazine-3-carboxylate
CID 15545363
dimethyl 2-iodo-4-methoxybenzene-1,3-dicarboxylate
CID 121221218
dimethyl 3,5-dimethylbenzene-1,2-dicarboxylate
CID 11499546
methyl 2-bromo-6-methoxy-4-methylbenzoate
CID 131571663
dimethyl 6,7-dimethoxynaphthalene-2,3-dicarboxylate
CID 10494700
methyl 2,4-dibromo-5-methoxybenzoate
CID 155293809
methyl 2-amino-3,5-dimethylbenzoate
CID 10702497
3-methoxy-5-methylphthalic acid
CID 12908895
ethane;methyl 2-methoxy-5-(4-methylphenyl)benzoate
CID 143170462
methyl 3-ethyl-2-methoxy-5-methylbenzoate
CID 20687255

Frequently Asked Questions

What is the IUPAC name of methyl 2-iodo-3-methoxy-5-methylbenzoate?
The IUPAC name of methyl 2-iodo-3-methoxy-5-methylbenzoate (CID 14138386) is methyl 2-iodo-3-methoxy-5-methylbenzoate.
What is the SMILES notation for methyl 2-iodo-3-methoxy-5-methylbenzoate?
The canonical SMILES for methyl 2-iodo-3-methoxy-5-methylbenzoate is COC(=O)c1cc(C)cc(OC)c1I.
What is the InChIKey of methyl 2-iodo-3-methoxy-5-methylbenzoate?
The InChIKey is JRWRBSUJGSGHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IO3/c1-6-4-7(10(12)14-3)9(11)8(5-6)13-2/h4-5H,1-3H3.
What are the key properties of methyl 2-iodo-3-methoxy-5-methylbenzoate?
methyl 2-iodo-3-methoxy-5-methylbenzoate has a molecular weight of 306.10 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-iodo-3-methoxy-5-methylbenzoate is sourced from PubChem (CID 14138386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).