(3-ethoxy-4-prop-2-enoxyphenyl)methyl-(furan-2-ylmethyl)azanium

C17H22NO3+ — CID 7458277

IUPAC(3-ethoxy-4-prop-2-enoxyphenyl)methyl-(furan-2-ylmethyl)azanium
SMILESC=CCOc1ccc(C[NH2+]Cc2ccco2)cc1OCC
InChIInChI=1S/C17H21NO3/c1-3-9-21-16-8-7-14(11-17(16)19-4-2)12-18-13-15-6-5-10-20-15/h3,5-8,10-11,18H,1,4,9,12-13H2,2H3/p+1
InChIKeyINWVAECVKFKCOG-UHFFFAOYSA-O
MW288.37 g/mol
LogP2.51
Rot. Bonds9

About (3-ethoxy-4-prop-2-enoxyphenyl)methyl-(furan-2-ylmethyl)azanium

(3-ethoxy-4-prop-2-enoxyphenyl)methyl-(furan-2-ylmethyl)azanium (PubChem CID 7458277) has the molecular formula C17H22NO3+ and a molecular weight of 288.37 g/mol. Its IUPAC name is (3-ethoxy-4-prop-2-enoxyphenyl)methyl-(furan-2-ylmethyl)azanium.

Molecular Properties

Compound Name(3-ethoxy-4-prop-2-enoxyphenyl)methyl-(furan-2-ylmethyl)azanium
PubChem CID7458277
Molecular FormulaC17H22NO3+
Molecular Weight288.37 g/mol
Exact Mass288.16
IUPAC Name(3-ethoxy-4-prop-2-enoxyphenyl)methyl-(furan-2-ylmethyl)azanium
SMILESC=CCOc1ccc(C[NH2+]Cc2ccco2)cc1OCC
InChIInChI=1S/C17H21NO3/c1-3-9-21-16-8-7-14(11-17(16)19-4-2)12-18-13-15-6-5-10-20-15/h3,5-8,10-11,18H,1,4,9,12-13H2,2H3/p+1
InChIKeyINWVAECVKFKCOG-UHFFFAOYSA-O
XLogP2.51
TPSA48.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3,4-diethoxyphenyl)methyl-(furan-2-ylmethyl)azanium
CID 7458290
benzyl-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]azanium
CID 7951691
[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-(furan-2-ylmethyl)azanium
CID 7425090
(3-ethoxy-4-prop-2-enoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium
CID 7380519
(3-ethoxy-4-prop-2-enoxyphenyl)methyl-[(2S)-2-hydroxypropyl]azanium
CID 7991499
[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-(furan-2-ylmethyl)azanium
CID 7458263
(3,4-diethoxyphenyl)methyl-(pyridin-2-ylmethyl)azanium
CID 7449497
2-(3-ethoxy-4-prop-2-enoxyphenyl)-3-(furan-2-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one
CID 3396728
(4-ethoxy-3-methoxyphenyl)methyl-[(3R)-3-(furan-2-yl)-6-methylheptyl]azanium
CID 7581729
1-[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-(furan-2-ylmethyl)methanamine
CID 119106566
(3-ethoxy-4-prop-2-enoxyphenyl)methyl-[3-(1-phenyltetrazol-5-yl)sulfanylpropyl]azanium
CID 8639631
(3-ethoxy-4-methoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium
CID 8636164

Frequently Asked Questions

What is the IUPAC name of (3-ethoxy-4-prop-2-enoxyphenyl)methyl-(furan-2-ylmethyl)azanium?
The IUPAC name of (3-ethoxy-4-prop-2-enoxyphenyl)methyl-(furan-2-ylmethyl)azanium (CID 7458277) is (3-ethoxy-4-prop-2-enoxyphenyl)methyl-(furan-2-ylmethyl)azanium.
What is the SMILES notation for (3-ethoxy-4-prop-2-enoxyphenyl)methyl-(furan-2-ylmethyl)azanium?
The canonical SMILES for (3-ethoxy-4-prop-2-enoxyphenyl)methyl-(furan-2-ylmethyl)azanium is C=CCOc1ccc(C[NH2+]Cc2ccco2)cc1OCC.
What is the InChIKey of (3-ethoxy-4-prop-2-enoxyphenyl)methyl-(furan-2-ylmethyl)azanium?
The InChIKey is INWVAECVKFKCOG-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H21NO3/c1-3-9-21-16-8-7-14(11-17(16)19-4-2)12-18-13-15-6-5-10-20-15/h3,5-8,10-11,18H,1,4,9,12-13H2,2H3/p+1.
What are the key properties of (3-ethoxy-4-prop-2-enoxyphenyl)methyl-(furan-2-ylmethyl)azanium?
(3-ethoxy-4-prop-2-enoxyphenyl)methyl-(furan-2-ylmethyl)azanium has a molecular weight of 288.37 g/mol, XLogP of 2.51, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxy-4-prop-2-enoxyphenyl)methyl-(furan-2-ylmethyl)azanium is sourced from PubChem (CID 7458277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).