4-ethoxychromenylium

C11H11O2+ — CID 12655463

IUPAC4-ethoxychromenylium
SMILESCCOc1cc[o+]c2ccccc12
InChIInChI=1S/C11H11O2/c1-2-12-11-7-8-13-10-6-4-3-5-9(10)11/h3-8H,2H2,1H3/q+1
InChIKeySJWDIHZHJZZYKQ-UHFFFAOYSA-N
MW175.21 g/mol
LogP3.11
Rot. Bonds2

About 4-ethoxychromenylium

4-ethoxychromenylium (PubChem CID 12655463) has the molecular formula C11H11O2+ and a molecular weight of 175.21 g/mol. Its IUPAC name is 4-ethoxychromenylium.

Molecular Properties

Compound Name4-ethoxychromenylium
PubChem CID12655463
Molecular FormulaC11H11O2+
Molecular Weight175.21 g/mol
Exact Mass175.08
IUPAC Name4-ethoxychromenylium
SMILESCCOc1cc[o+]c2ccccc12
InChIInChI=1S/C11H11O2/c1-2-12-11-7-8-13-10-6-4-3-5-9(10)11/h3-8H,2H2,1H3/q+1
InChIKeySJWDIHZHJZZYKQ-UHFFFAOYSA-N
XLogP3.11
TPSA20.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.21
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-ethoxychromenylium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

lithium;1-ethoxynaphthalene;hydride
CID 174613942
1-ethoxyphenanthrene
CID 19828992
4-ethoxy-2-phenylquinoline
CID 14954061
1-ethoxy-2-[4-(4-phenylphenyl)phenyl]benzene
CID 151505413
1-ethoxy-5-propan-2-ylnaphthalene
CID 176668059
2-ethoxypyrylium
CID 102371570
4-ethoxy-1-ethylquinolin-1-ium tetrafluoroborate
CID 22263271
[2-bis(2-ethoxyphenyl)phosphanylphenyl]-bis(2-ethoxyphenyl)phosphane
CID 138520904
2,4-diethoxy-1-methylquinolin-1-ium
CID 10158034
(4-ethoxynaphthalene-1-carbonyl) 4-ethoxynaphthalene-1-carboxylate
CID 88736257
4-ethoxynaphthalen-2-amine
CID 57115135
2-ethoxy-1,3-diphenylbenzene;zinc
CID 175181234

Frequently Asked Questions

What is the IUPAC name of 4-ethoxychromenylium?
The IUPAC name of 4-ethoxychromenylium (CID 12655463) is 4-ethoxychromenylium.
What is the SMILES notation for 4-ethoxychromenylium?
The canonical SMILES for 4-ethoxychromenylium is CCOc1cc[o+]c2ccccc12.
What is the InChIKey of 4-ethoxychromenylium?
The InChIKey is SJWDIHZHJZZYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11O2/c1-2-12-11-7-8-13-10-6-4-3-5-9(10)11/h3-8H,2H2,1H3/q+1.
What are the key properties of 4-ethoxychromenylium?
4-ethoxychromenylium has a molecular weight of 175.21 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxychromenylium is sourced from PubChem (CID 12655463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).