1-iodosyl-4-methoxybenzene

C7H7IO2 — CID 3735400

IUPAC1-iodosyl-4-methoxybenzene
SMILESCOc1ccc(I=O)cc1
InChIInChI=1S/C7H7IO2/c1-10-7-4-2-6(8-9)3-5-7/h2-5H,1H3
InChIKeyDUKIEEHLZZTBGX-UHFFFAOYSA-N
MW250.03 g/mol
LogP2.18
Rot. Bonds2

About 1-iodosyl-4-methoxybenzene

1-iodosyl-4-methoxybenzene (PubChem CID 3735400) has the molecular formula C7H7IO2 and a molecular weight of 250.03 g/mol. Its IUPAC name is 1-iodosyl-4-methoxybenzene.

Molecular Properties

Compound Name1-iodosyl-4-methoxybenzene
PubChem CID3735400
Molecular FormulaC7H7IO2
Molecular Weight250.03 g/mol
Exact Mass249.95
IUPAC Name1-iodosyl-4-methoxybenzene
SMILESCOc1ccc(I=O)cc1
InChIInChI=1S/C7H7IO2/c1-10-7-4-2-6(8-9)3-5-7/h2-5H,1H3
InChIKeyDUKIEEHLZZTBGX-UHFFFAOYSA-N
XLogP2.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.03
LogP ≤ 52.18
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

1,4-dimethoxybenzene;molecular nitrogen;hydrochloride
CID 173452430
1-(113C)methoxy-4-methylbenzene
CID 166176950
1-methoxy-4-(4-methoxyphenyl)selenonylbenzene
CID 11771710
1-methoxy-4-(4-methoxyphenyl)tellanylbenzene;dihydrochloride
CID 88732115
1,4-bis(4-methoxyphenyl)piperazine-2,5-dione
CID 585094
sodium (4-methoxyphenyl) sulfite
CID 175083766
1,3-dimethoxy-5-(4-methoxyphenyl)sulfanylbenzene
CID 176734451
1-[dihydroxy-(4-methoxyphenyl)-λ4-tellanyl]-4-methoxybenzene
CID 101242302
1-methoxy-4-methylbenzene tritetrafluoroborate
CID 175186018
(4-methoxyphenyl)-methyl-oxoazanium
CID 143688246
(4-methoxyphenyl)methanedithiol
CID 19893185
(4-methoxyphenyl) nitrite
CID 118559618

Frequently Asked Questions

What is the IUPAC name of 1-iodosyl-4-methoxybenzene?
The IUPAC name of 1-iodosyl-4-methoxybenzene (CID 3735400) is 1-iodosyl-4-methoxybenzene.
What is the SMILES notation for 1-iodosyl-4-methoxybenzene?
The canonical SMILES for 1-iodosyl-4-methoxybenzene is COc1ccc(I=O)cc1.
What is the InChIKey of 1-iodosyl-4-methoxybenzene?
The InChIKey is DUKIEEHLZZTBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7IO2/c1-10-7-4-2-6(8-9)3-5-7/h2-5H,1H3.
What are the key properties of 1-iodosyl-4-methoxybenzene?
1-iodosyl-4-methoxybenzene has a molecular weight of 250.03 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodosyl-4-methoxybenzene is sourced from PubChem (CID 3735400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).