6-methoxychromenylium

C10H9O2+ — CID 12867628

IUPAC6-methoxychromenylium
SMILESCOc1ccc2[o+]cccc2c1
InChIInChI=1S/C10H9O2/c1-11-9-4-5-10-8(7-9)3-2-6-12-10/h2-7H,1H3/q+1
InChIKeyKAFATQJTUHAGLO-UHFFFAOYSA-N
MW161.18 g/mol
LogP2.72
Rot. Bonds1

About 6-methoxychromenylium

6-methoxychromenylium (PubChem CID 12867628) has the molecular formula C10H9O2+ and a molecular weight of 161.18 g/mol. Its IUPAC name is 6-methoxychromenylium.

Molecular Properties

Compound Name6-methoxychromenylium
PubChem CID12867628
Molecular FormulaC10H9O2+
Molecular Weight161.18 g/mol
Exact Mass161.06
IUPAC Name6-methoxychromenylium
SMILESCOc1ccc2[o+]cccc2c1
InChIInChI=1S/C10H9O2/c1-11-9-4-5-10-8(7-9)3-2-6-12-10/h2-7H,1H3/q+1
InChIKeyKAFATQJTUHAGLO-UHFFFAOYSA-N
XLogP2.72
TPSA20.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.18
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 176774050
2-methoxy-6-[6-[6-(6-methylnaphthalen-2-yl)naphthalen-2-yl]naphthalen-2-yl]naphthalene
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Frequently Asked Questions

What is the IUPAC name of 6-methoxychromenylium?
The IUPAC name of 6-methoxychromenylium (CID 12867628) is 6-methoxychromenylium.
What is the SMILES notation for 6-methoxychromenylium?
The canonical SMILES for 6-methoxychromenylium is COc1ccc2[o+]cccc2c1.
What is the InChIKey of 6-methoxychromenylium?
The InChIKey is KAFATQJTUHAGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9O2/c1-11-9-4-5-10-8(7-9)3-2-6-12-10/h2-7H,1H3/q+1.
What are the key properties of 6-methoxychromenylium?
6-methoxychromenylium has a molecular weight of 161.18 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxychromenylium is sourced from PubChem (CID 12867628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).