methyl 2-iodo-6-methoxybenzoate

C9H9IO3 — CID 91882308

IUPACmethyl 2-iodo-6-methoxybenzoate
SMILESCOC(=O)c1c(I)cccc1OC
InChIInChI=1S/C9H9IO3/c1-12-7-5-3-4-6(10)8(7)9(11)13-2/h3-5H,1-2H3
InChIKeyUKQWVJWPFLNUPQ-UHFFFAOYSA-N
MW292.07 g/mol
LogP2.09
Rot. Bonds2

About methyl 2-iodo-6-methoxybenzoate

methyl 2-iodo-6-methoxybenzoate (PubChem CID 91882308) has the molecular formula C9H9IO3 and a molecular weight of 292.07 g/mol. Its IUPAC name is methyl 2-iodo-6-methoxybenzoate.

Molecular Properties

Compound Namemethyl 2-iodo-6-methoxybenzoate
PubChem CID91882308
Molecular FormulaC9H9IO3
Molecular Weight292.07 g/mol
Exact Mass291.96
IUPAC Namemethyl 2-iodo-6-methoxybenzoate
SMILESCOC(=O)c1c(I)cccc1OC
InChIInChI=1S/C9H9IO3/c1-12-7-5-3-4-6(10)8(7)9(11)13-2/h3-5H,1-2H3
InChIKeyUKQWVJWPFLNUPQ-UHFFFAOYSA-N
XLogP2.09
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.07
LogP ≤ 52.09
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 2-formyl-6-iodobenzoate
CID 133057858
methyl 2-methoxy-6-methoxycarbonyloxybenzoate
CID 174850482
methyl 2-formyl-6-methoxybenzoate
CID 12730360
(2-iodo-6-methoxyphenyl)carbamic acid
CID 69416969
dimethyl 2-iodo-4-methoxybenzene-1,3-dicarboxylate
CID 121221218
methyl 2-[(dimethylamino)methyl]-6-methoxybenzoate
CID 23258118
methyl 2-(2,6-dimethoxybenzoyl)benzoate
CID 71397959
[2-(2-iodoanilino)-2-oxoethyl] 2,6-dimethoxybenzoate
CID 2636059
methyl 3,6-dimethoxy-2-methylbenzoate
CID 10536412
acetyl 2,6-dimethoxybenzoate
CID 57154954
methyl 3-methoxy-2-methylbenzoate
CID 12527049
methyl 4-bromo-2-fluoro-6-(2-iodophenoxy)benzoate
CID 166637684

Frequently Asked Questions

What is the IUPAC name of methyl 2-iodo-6-methoxybenzoate?
The IUPAC name of methyl 2-iodo-6-methoxybenzoate (CID 91882308) is methyl 2-iodo-6-methoxybenzoate.
What is the SMILES notation for methyl 2-iodo-6-methoxybenzoate?
The canonical SMILES for methyl 2-iodo-6-methoxybenzoate is COC(=O)c1c(I)cccc1OC.
What is the InChIKey of methyl 2-iodo-6-methoxybenzoate?
The InChIKey is UKQWVJWPFLNUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9IO3/c1-12-7-5-3-4-6(10)8(7)9(11)13-2/h3-5H,1-2H3.
What are the key properties of methyl 2-iodo-6-methoxybenzoate?
methyl 2-iodo-6-methoxybenzoate has a molecular weight of 292.07 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-iodo-6-methoxybenzoate is sourced from PubChem (CID 91882308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).