4-methoxy-8aH-chromen-1-ium

C10H11O2+ — CID 143375810

IUPAC4-methoxy-8aH-chromen-1-ium
SMILESCOC1=C2C=CC=CC2[OH+]C=C1
InChIInChI=1S/C10H10O2/c1-11-9-6-7-12-10-5-3-2-4-8(9)10/h2-7,10H,1H3/p+1
InChIKeyGLYYPMQTRZQVCO-UHFFFAOYSA-O
MW163.20 g/mol
LogP1.44
Rot. Bonds1

About 4-methoxy-8aH-chromen-1-ium

4-methoxy-8aH-chromen-1-ium (PubChem CID 143375810) has the molecular formula C10H11O2+ and a molecular weight of 163.20 g/mol. Its IUPAC name is 4-methoxy-8aH-chromen-1-ium.

Molecular Properties

Compound Name4-methoxy-8aH-chromen-1-ium
PubChem CID143375810
Molecular FormulaC10H11O2+
Molecular Weight163.20 g/mol
Exact Mass163.08
IUPAC Name4-methoxy-8aH-chromen-1-ium
SMILESCOC1=C2C=CC=CC2[OH+]C=C1
InChIInChI=1S/C10H10O2/c1-11-9-6-7-12-10-5-3-2-4-8(9)10/h2-7,10H,1H3/p+1
InChIKeyGLYYPMQTRZQVCO-UHFFFAOYSA-O
XLogP1.44
TPSA22.03 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.20
LogP ≤ 51.44
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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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-8aH-chromen-1-ium?
The IUPAC name of 4-methoxy-8aH-chromen-1-ium (CID 143375810) is 4-methoxy-8aH-chromen-1-ium.
What is the SMILES notation for 4-methoxy-8aH-chromen-1-ium?
The canonical SMILES for 4-methoxy-8aH-chromen-1-ium is COC1=C2C=CC=CC2[OH+]C=C1.
What is the InChIKey of 4-methoxy-8aH-chromen-1-ium?
The InChIKey is GLYYPMQTRZQVCO-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H10O2/c1-11-9-6-7-12-10-5-3-2-4-8(9)10/h2-7,10H,1H3/p+1.
What are the key properties of 4-methoxy-8aH-chromen-1-ium?
4-methoxy-8aH-chromen-1-ium has a molecular weight of 163.20 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-8aH-chromen-1-ium is sourced from PubChem (CID 143375810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).