2-(2-methoxyphenyl)ethynyl-phenyliodanium

C15H12IO+ — CID 71725486

IUPAC2-(2-methoxyphenyl)ethynyl-phenyliodanium
SMILESCOc1ccccc1C#C[I+]c1ccccc1
InChIInChI=1S/C15H12IO/c1-17-15-10-6-5-7-13(15)11-12-16-14-8-3-2-4-9-14/h2-10H,1H3/q+1
InChIKeySKVNPGLXJWMDOR-UHFFFAOYSA-N
MW335.16 g/mol
LogP-0.04
Rot. Bonds2

About 2-(2-methoxyphenyl)ethynyl-phenyliodanium

2-(2-methoxyphenyl)ethynyl-phenyliodanium (PubChem CID 71725486) has the molecular formula C15H12IO+ and a molecular weight of 335.16 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)ethynyl-phenyliodanium.

Molecular Properties

Compound Name2-(2-methoxyphenyl)ethynyl-phenyliodanium
PubChem CID71725486
Molecular FormulaC15H12IO+
Molecular Weight335.16 g/mol
Exact Mass334.99
IUPAC Name2-(2-methoxyphenyl)ethynyl-phenyliodanium
SMILESCOc1ccccc1C#C[I+]c1ccccc1
InChIInChI=1S/C15H12IO/c1-17-15-10-6-5-7-13(15)11-12-16-14-8-3-2-4-9-14/h2-10H,1H3/q+1
InChIKeySKVNPGLXJWMDOR-UHFFFAOYSA-N
XLogP-0.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.16
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,2-bis[2-(2-methoxyphenyl)ethynyl]benzene
CID 11313747
1-methoxy-2-[2-[4-[4-[2-(2-methoxyphenyl)ethynyl]phenyl]phenyl]ethynyl]benzene
CID 70271277
2-[2-(2-methoxyphenyl)ethynyl]benzene-1,3-diamine
CID 102223785
2-(2-methoxyphenyl)ethynyl-trimethylsilane
CID 5140915
1-(3-bromoprop-1-ynyl)-2-methoxybenzene
CID 19973041
2-[2-(2-methoxyphenyl)ethynyl]benzaldehyde
CID 25215814
2,7-bis[2-(2-methoxyphenyl)ethynyl]pyrene
CID 102431257
1-(3-chloro-3-methylbut-1-ynyl)-2-methoxybenzene
CID 130055802
4-(2-methoxyphenyl)-2-methylbut-3-yn-2-amine
CID 63998901
2-(2-methoxyphenyl)ethynesulfonyl fluoride
CID 162408413
4-(2-methoxyphenyl)buta-1,3-diynyl-trimethylsilane
CID 15531435
2-[2-(2-methoxyphenyl)ethynyl]-5-methylpyridine
CID 68931360

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)ethynyl-phenyliodanium?
The IUPAC name of 2-(2-methoxyphenyl)ethynyl-phenyliodanium (CID 71725486) is 2-(2-methoxyphenyl)ethynyl-phenyliodanium.
What is the SMILES notation for 2-(2-methoxyphenyl)ethynyl-phenyliodanium?
The canonical SMILES for 2-(2-methoxyphenyl)ethynyl-phenyliodanium is COc1ccccc1C#C[I+]c1ccccc1.
What is the InChIKey of 2-(2-methoxyphenyl)ethynyl-phenyliodanium?
The InChIKey is SKVNPGLXJWMDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12IO/c1-17-15-10-6-5-7-13(15)11-12-16-14-8-3-2-4-9-14/h2-10H,1H3/q+1.
What are the key properties of 2-(2-methoxyphenyl)ethynyl-phenyliodanium?
2-(2-methoxyphenyl)ethynyl-phenyliodanium has a molecular weight of 335.16 g/mol, XLogP of -0.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)ethynyl-phenyliodanium is sourced from PubChem (CID 71725486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).