6-bromo-4-ethoxy-2-(4-methoxyphenyl)chromenylium

C18H16BrO3+ — CID 21177882

IUPAC6-bromo-4-ethoxy-2-(4-methoxyphenyl)chromenylium
SMILESCCOc1cc(-c2ccc(OC)cc2)[o+]c2ccc(Br)cc12
InChIInChI=1S/C18H16BrO3/c1-3-21-18-11-17(12-4-7-14(20-2)8-5-12)22-16-9-6-13(19)10-15(16)18/h4-11H,3H2,1-2H3/q+1
InChIKeyKTWMTVBAOBRENM-UHFFFAOYSA-N
MW360.23 g/mol
LogP5.55
Rot. Bonds4

About 6-bromo-4-ethoxy-2-(4-methoxyphenyl)chromenylium

6-bromo-4-ethoxy-2-(4-methoxyphenyl)chromenylium (PubChem CID 21177882) has the molecular formula C18H16BrO3+ and a molecular weight of 360.23 g/mol. Its IUPAC name is 6-bromo-4-ethoxy-2-(4-methoxyphenyl)chromenylium.

Molecular Properties

Compound Name6-bromo-4-ethoxy-2-(4-methoxyphenyl)chromenylium
PubChem CID21177882
Molecular FormulaC18H16BrO3+
Molecular Weight360.23 g/mol
Exact Mass359.03
IUPAC Name6-bromo-4-ethoxy-2-(4-methoxyphenyl)chromenylium
SMILESCCOc1cc(-c2ccc(OC)cc2)[o+]c2ccc(Br)cc12
InChIInChI=1S/C18H16BrO3/c1-3-21-18-11-17(12-4-7-14(20-2)8-5-12)22-16-9-6-13(19)10-15(16)18/h4-11H,3H2,1-2H3/q+1
InChIKeyKTWMTVBAOBRENM-UHFFFAOYSA-N
XLogP5.55
TPSA29.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.23
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-2-(4-methoxyphenyl)-6-nitrochromenylium
CID 21177874
4-(4-ethoxy-6-methoxychromenylium-2-yl)benzene-1,2-diol
CID 15445968
4-ethoxy-2-(4-methoxyphenyl)benzo[h]chromen-1-ium chloride
CID 2849208
1-(4-bromophenoxy)-4-methoxy-2-(4-methoxyphenyl)benzene
CID 141409053
5-bromo-3-(4-methoxyphenyl)-1-benzofuran
CID 58123254
2-bromo-7-ethoxynaphthalene
CID 22240149
6-bromo-3-(4-methoxyphenyl)-1-methylquinolin-4-one
CID 166442294
2-ethoxy-4-methoxy-1-[4-[(4-methoxyphenyl)methoxy]phenyl]benzene
CID 170021293
5-bromo-2-ethoxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 17230351
4-ethoxy-3-(4-methoxyphenyl)benzoic acid
CID 110282209
1-(4-bromo-2-methoxyphenyl)-3,5-dimethoxybenzene
CID 163198275
2,6-bis(4-methoxyphenyl)-4-methylsulfanylpyrylium
CID 12672455

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-ethoxy-2-(4-methoxyphenyl)chromenylium?
The IUPAC name of 6-bromo-4-ethoxy-2-(4-methoxyphenyl)chromenylium (CID 21177882) is 6-bromo-4-ethoxy-2-(4-methoxyphenyl)chromenylium.
What is the SMILES notation for 6-bromo-4-ethoxy-2-(4-methoxyphenyl)chromenylium?
The canonical SMILES for 6-bromo-4-ethoxy-2-(4-methoxyphenyl)chromenylium is CCOc1cc(-c2ccc(OC)cc2)[o+]c2ccc(Br)cc12.
What is the InChIKey of 6-bromo-4-ethoxy-2-(4-methoxyphenyl)chromenylium?
The InChIKey is KTWMTVBAOBRENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrO3/c1-3-21-18-11-17(12-4-7-14(20-2)8-5-12)22-16-9-6-13(19)10-15(16)18/h4-11H,3H2,1-2H3/q+1.
What are the key properties of 6-bromo-4-ethoxy-2-(4-methoxyphenyl)chromenylium?
6-bromo-4-ethoxy-2-(4-methoxyphenyl)chromenylium has a molecular weight of 360.23 g/mol, XLogP of 5.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-ethoxy-2-(4-methoxyphenyl)chromenylium is sourced from PubChem (CID 21177882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).