[5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methyl-[[(2R)-oxolan-2-yl]methyl]azanium

C18H24NO3+ — CID 8639058

IUPAC[5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methyl-[[(2R)-oxolan-2-yl]methyl]azanium
SMILESC[C@H](O)c1ccc(-c2ccc(C[NH2+]C[C@H]3CCCO3)o2)cc1
InChIInChI=1S/C18H23NO3/c1-13(20)14-4-6-15(7-5-14)18-9-8-17(22-18)12-19-11-16-3-2-10-21-16/h4-9,13,16,19-20H,2-3,10-12H2,1H3/p+1/t13-,16+/m0/s1
InChIKeyURMYNGAXHBPSJY-XJKSGUPXSA-O
MW302.39 g/mol
LogP2.24
Rot. Bonds6

About [5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methyl-[[(2R)-oxolan-2-yl]methyl]azanium

[5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methyl-[[(2R)-oxolan-2-yl]methyl]azanium (PubChem CID 8639058) has the molecular formula C18H24NO3+ and a molecular weight of 302.39 g/mol. Its IUPAC name is [5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methyl-[[(2R)-oxolan-2-yl]methyl]azanium.

Molecular Properties

Compound Name[5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methyl-[[(2R)-oxolan-2-yl]methyl]azanium
PubChem CID8639058
Molecular FormulaC18H24NO3+
Molecular Weight302.39 g/mol
Exact Mass302.18
IUPAC Name[5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methyl-[[(2R)-oxolan-2-yl]methyl]azanium
SMILESC[C@H](O)c1ccc(-c2ccc(C[NH2+]C[C@H]3CCCO3)o2)cc1
InChIInChI=1S/C18H23NO3/c1-13(20)14-4-6-15(7-5-14)18-9-8-17(22-18)12-19-11-16-3-2-10-21-16/h4-9,13,16,19-20H,2-3,10-12H2,1H3/p+1/t13-,16+/m0/s1
InChIKeyURMYNGAXHBPSJY-XJKSGUPXSA-O
XLogP2.24
TPSA59.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.39
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methyl-[[(2R)-oxolan-2-yl]methyl]azanium with MolForge

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Related Compounds

cyclohexyl-[[5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methyl]azanium
CID 7425297
[5-[4-[(1R)-1-hydroxyethyl]phenyl]furan-2-yl]methyl-(pyridin-2-ylmethyl)azanium
CID 7425319
[5-(2,5-dichlorophenyl)furan-2-yl]methyl-[[(2S)-oxolan-2-yl]methyl]azanium
CID 8622324
1-[4-[5-[(propan-2-ylamino)methyl]furan-2-yl]phenyl]ethanol;hydrochloride
CID 17156433
[5-[4-[(1R)-1-hydroxyethyl]phenyl]furan-2-yl]methyl-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]azanium
CID 8639360
(1S)-1-[4-(oxolan-2-ylmethoxy)phenyl]ethanol
CID 63364123
methyl 4-[5-[[[(2S)-oxolan-2-yl]methylamino]methyl]furan-2-yl]benzoate
CID 8636615
4-[5-[(oxolan-2-ylmethylamino)methyl]furan-2-yl]benzoic acid
CID 17056052
(1S)-1-[4-[5-[(2-morpholin-4-ylethylamino)methyl]furan-2-yl]phenyl]ethanol
CID 8639329
1-(4-methylphenyl)-2-(oxolan-2-yl)ethanol
CID 60797370
1-[1-(oxolan-2-ylmethyl)pyrrol-3-yl]ethanol
CID 79107610
1-[4-[5-[(2-methylbutan-2-ylamino)methyl]furan-2-yl]phenyl]ethanol
CID 17210963

Frequently Asked Questions

What is the IUPAC name of [5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methyl-[[(2R)-oxolan-2-yl]methyl]azanium?
The IUPAC name of [5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methyl-[[(2R)-oxolan-2-yl]methyl]azanium (CID 8639058) is [5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methyl-[[(2R)-oxolan-2-yl]methyl]azanium.
What is the SMILES notation for [5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methyl-[[(2R)-oxolan-2-yl]methyl]azanium?
The canonical SMILES for [5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methyl-[[(2R)-oxolan-2-yl]methyl]azanium is C[C@H](O)c1ccc(-c2ccc(C[NH2+]C[C@H]3CCCO3)o2)cc1.
What is the InChIKey of [5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methyl-[[(2R)-oxolan-2-yl]methyl]azanium?
The InChIKey is URMYNGAXHBPSJY-XJKSGUPXSA-O. The full InChI is InChI=1S/C18H23NO3/c1-13(20)14-4-6-15(7-5-14)18-9-8-17(22-18)12-19-11-16-3-2-10-21-16/h4-9,13,16,19-20H,2-3,10-12H2,1H3/p+1/t13-,16+/m0/s1.
What are the key properties of [5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methyl-[[(2R)-oxolan-2-yl]methyl]azanium?
[5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methyl-[[(2R)-oxolan-2-yl]methyl]azanium has a molecular weight of 302.39 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methyl-[[(2R)-oxolan-2-yl]methyl]azanium is sourced from PubChem (CID 8639058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).