[5-[hydroxy(phenyl)methyl]furan-2-yl]methyl-trimethylazanium iodide

C15H20INO2 — CID 10022201

IUPAC[5-[hydroxy(phenyl)methyl]furan-2-yl]methyl-trimethylazanium iodide
SMILESC[N+](C)(C)Cc1ccc(C(O)c2ccccc2)o1.[I-]
InChIInChI=1S/C15H20NO2.HI/c1-16(2,3)11-13-9-10-14(18-13)15(17)12-7-5-4-6-8-12;/h4-10,15,17H,11H2,1-3H3;1H/q+1;/p-1
InChIKeyHIJHAKNCVKBVTC-UHFFFAOYSA-M
MW373.23 g/mol
LogP-0.43
Rot. Bonds4

About [5-[hydroxy(phenyl)methyl]furan-2-yl]methyl-trimethylazanium iodide

[5-[hydroxy(phenyl)methyl]furan-2-yl]methyl-trimethylazanium iodide (PubChem CID 10022201) has the molecular formula C15H20INO2 and a molecular weight of 373.23 g/mol. Its IUPAC name is [5-[hydroxy(phenyl)methyl]furan-2-yl]methyl-trimethylazanium iodide.

Molecular Properties

Compound Name[5-[hydroxy(phenyl)methyl]furan-2-yl]methyl-trimethylazanium iodide
PubChem CID10022201
Molecular FormulaC15H20INO2
Molecular Weight373.23 g/mol
Exact Mass373.05
IUPAC Name[5-[hydroxy(phenyl)methyl]furan-2-yl]methyl-trimethylazanium iodide
SMILESC[N+](C)(C)Cc1ccc(C(O)c2ccccc2)o1.[I-]
InChIInChI=1S/C15H20NO2.HI/c1-16(2,3)11-13-9-10-14(18-13)15(17)12-7-5-4-6-8-12;/h4-10,15,17H,11H2,1-3H3;1H/q+1;/p-1
InChIKeyHIJHAKNCVKBVTC-UHFFFAOYSA-M
XLogP-0.43
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.23
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

(5-ethylfuran-2-yl)methyl-trimethylazanium iodide
CID 23273795
4-[hydroxy-[5-(hydroxymethyl)furan-2-yl]methyl]phenol
CID 118338095
ethyl 5-[hydroxy(phenyl)methyl]furan-2-carboxylate
CID 10681846
methyl 5-[hydroxy(phenyl)methyl]furan-2-carboxylate
CID 86175043
(4-fluorophenyl)-[5-(hydroxymethyl)furan-2-yl]methanol
CID 163397111
benzyl-(1-hydroxy-2-phenylpropyl)-dimethylazanium
CID 58225776
(5-ethylfuran-2-yl)-(1-phenylpyrazol-4-yl)methanol
CID 79096206
[(5-ethylfuran-2-yl)-phenylmethyl]hydrazine
CID 105282976
(3-hydroxy-3-phenylpropyl)-trimethylazanium
CID 3026695
(R)-[2-[(S)-hydroxy(phenyl)methyl]phenyl]-phenylmethanol
CID 92542463
(S)-(5-ethyl-1,3,4-oxadiazol-2-yl)-phenylmethanol
CID 101417641
(S)-[2-(2-methylpropyl)phenyl]-phenylmethanol
CID 125467044

Frequently Asked Questions

What is the IUPAC name of [5-[hydroxy(phenyl)methyl]furan-2-yl]methyl-trimethylazanium iodide?
The IUPAC name of [5-[hydroxy(phenyl)methyl]furan-2-yl]methyl-trimethylazanium iodide (CID 10022201) is [5-[hydroxy(phenyl)methyl]furan-2-yl]methyl-trimethylazanium iodide.
What is the SMILES notation for [5-[hydroxy(phenyl)methyl]furan-2-yl]methyl-trimethylazanium iodide?
The canonical SMILES for [5-[hydroxy(phenyl)methyl]furan-2-yl]methyl-trimethylazanium iodide is C[N+](C)(C)Cc1ccc(C(O)c2ccccc2)o1.[I-].
What is the InChIKey of [5-[hydroxy(phenyl)methyl]furan-2-yl]methyl-trimethylazanium iodide?
The InChIKey is HIJHAKNCVKBVTC-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H20NO2.HI/c1-16(2,3)11-13-9-10-14(18-13)15(17)12-7-5-4-6-8-12;/h4-10,15,17H,11H2,1-3H3;1H/q+1;/p-1.
What are the key properties of [5-[hydroxy(phenyl)methyl]furan-2-yl]methyl-trimethylazanium iodide?
[5-[hydroxy(phenyl)methyl]furan-2-yl]methyl-trimethylazanium iodide has a molecular weight of 373.23 g/mol, XLogP of -0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[hydroxy(phenyl)methyl]furan-2-yl]methyl-trimethylazanium iodide is sourced from PubChem (CID 10022201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).