2-(4-iodophenyl)-8-methoxychromenylium

C16H12IO2+ — CID 91462015

IUPAC2-(4-iodophenyl)-8-methoxychromenylium
SMILESCOc1cccc2ccc(-c3ccc(I)cc3)[o+]c12
InChIInChI=1S/C16H12IO2/c1-18-15-4-2-3-12-7-10-14(19-16(12)15)11-5-8-13(17)9-6-11/h2-10H,1H3/q+1
InChIKeySOJHLIXTZHPYOB-UHFFFAOYSA-N
MW363.17 g/mol
LogP4.99
Rot. Bonds2

About 2-(4-iodophenyl)-8-methoxychromenylium

2-(4-iodophenyl)-8-methoxychromenylium (PubChem CID 91462015) has the molecular formula C16H12IO2+ and a molecular weight of 363.17 g/mol. Its IUPAC name is 2-(4-iodophenyl)-8-methoxychromenylium.

Molecular Properties

Compound Name2-(4-iodophenyl)-8-methoxychromenylium
PubChem CID91462015
Molecular FormulaC16H12IO2+
Molecular Weight363.17 g/mol
Exact Mass362.99
IUPAC Name2-(4-iodophenyl)-8-methoxychromenylium
SMILESCOc1cccc2ccc(-c3ccc(I)cc3)[o+]c12
InChIInChI=1S/C16H12IO2/c1-18-15-4-2-3-12-7-10-14(19-16(12)15)11-5-8-13(17)9-6-11/h2-10H,1H3/q+1
InChIKeySOJHLIXTZHPYOB-UHFFFAOYSA-N
XLogP4.99
TPSA20.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.17
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4,5-trimethoxyphenyl)chromenylium
CID 12986342
4-iodo-1-(4-iodo-2-methoxyphenyl)-2-methoxybenzene
CID 86019037
2-iodo-7-methoxy-1-benzofuran
CID 147263066
2-(3-iodophenyl)-1,3-dimethoxybenzene
CID 11302224
7-iodo-1,6-dimethoxynaphthalene
CID 14004783
1,4-diiodo-2-methoxybenzene
CID 23154690
1-methoxy-2-[4-[4-(2-methoxyphenyl)phenyl]phenyl]benzene
CID 86116478
N-(4-iodophenyl)-2,6-dimethoxybenzamide
CID 1019212
2-(3-hydroxy-4-methoxyphenyl)chromenylium-7-ol
CID 10061611
(4-iodophenyl)-(2-methoxyphenyl)methanol
CID 114978781
1-iodo-4-[(2-methoxyphenoxy)methyl]benzene
CID 65490532
8-methoxy-1-methylquinolin-2-one
CID 742791

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodophenyl)-8-methoxychromenylium?
The IUPAC name of 2-(4-iodophenyl)-8-methoxychromenylium (CID 91462015) is 2-(4-iodophenyl)-8-methoxychromenylium.
What is the SMILES notation for 2-(4-iodophenyl)-8-methoxychromenylium?
The canonical SMILES for 2-(4-iodophenyl)-8-methoxychromenylium is COc1cccc2ccc(-c3ccc(I)cc3)[o+]c12.
What is the InChIKey of 2-(4-iodophenyl)-8-methoxychromenylium?
The InChIKey is SOJHLIXTZHPYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12IO2/c1-18-15-4-2-3-12-7-10-14(19-16(12)15)11-5-8-13(17)9-6-11/h2-10H,1H3/q+1.
What are the key properties of 2-(4-iodophenyl)-8-methoxychromenylium?
2-(4-iodophenyl)-8-methoxychromenylium has a molecular weight of 363.17 g/mol, XLogP of 4.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodophenyl)-8-methoxychromenylium is sourced from PubChem (CID 91462015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).