2-methoxybenzoyl iodide

C8H7IO2 — CID 139677083

IUPAC2-methoxybenzoyl iodide
SMILESCOc1ccccc1C(=O)I
InChIInChI=1S/C8H7IO2/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3
InChIKeyJJDYYTXPYLMYLN-UHFFFAOYSA-N
MW262.05 g/mol
LogP2.27
Rot. Bonds2

About 2-methoxybenzoyl iodide

2-methoxybenzoyl iodide (PubChem CID 139677083) has the molecular formula C8H7IO2 and a molecular weight of 262.05 g/mol. Its IUPAC name is 2-methoxybenzoyl iodide.

Molecular Properties

Compound Name2-methoxybenzoyl iodide
PubChem CID139677083
Molecular FormulaC8H7IO2
Molecular Weight262.05 g/mol
Exact Mass261.95
IUPAC Name2-methoxybenzoyl iodide
SMILESCOc1ccccc1C(=O)I
InChIInChI=1S/C8H7IO2/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3
InChIKeyJJDYYTXPYLMYLN-UHFFFAOYSA-N
XLogP2.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.05
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665
CID 135043978
CID 135043978
2-methoxybenzoate;hydrochloride
CID 18793456
ethane;methyl 2-methoxybenzoate
CID 178037044
formaldehyde;bis(1-(2-methoxyphenyl)ethanone)
CID 174959963
1-[(E)-1,2-diiodo-2-phenylethenyl]-2-methoxybenzene
CID 122376703
(2R)-2-bromo-1-(2-methoxyphenyl)propan-1-one
CID 94723758
(2S)-2-bromo-1-(2-methoxyphenyl)propan-1-one
CID 94723757
2-methoxybenzoic acid;bis(propan-2-ol)
CID 130236181
2-fluoro-1-(2-methoxyphenyl)ethanone
CID 11816076
2-methoxybenzohydrazide
CID 24051
(2,3-dichloro-4-methoxyphenyl)-(2-methoxyphenyl)methanone
CID 14012570

Frequently Asked Questions

What is the IUPAC name of 2-methoxybenzoyl iodide?
The IUPAC name of 2-methoxybenzoyl iodide (CID 139677083) is 2-methoxybenzoyl iodide.
What is the SMILES notation for 2-methoxybenzoyl iodide?
The canonical SMILES for 2-methoxybenzoyl iodide is COc1ccccc1C(=O)I.
What is the InChIKey of 2-methoxybenzoyl iodide?
The InChIKey is JJDYYTXPYLMYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7IO2/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3.
What are the key properties of 2-methoxybenzoyl iodide?
2-methoxybenzoyl iodide has a molecular weight of 262.05 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxybenzoyl iodide is sourced from PubChem (CID 139677083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).