[(2S,3R)-4-oxo-2-phenyl-2,3-dihydrochromen-3-yl]-propan-2-ylazanium

C18H20NO2+ — CID 7212963

IUPAC[(2S,3R)-4-oxo-2-phenyl-2,3-dihydrochromen-3-yl]-propan-2-ylazanium
SMILESCC(C)[NH2+][C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1
InChIInChI=1S/C18H19NO2/c1-12(2)19-16-17(20)14-10-6-7-11-15(14)21-18(16)13-8-4-3-5-9-13/h3-12,16,18-19H,1-2H3/p+1/t16-,18-/m0/s1
InChIKeyFRKRBLLGUGLILE-WMZOPIPTSA-O
MW282.36 g/mol
LogP2.34
Rot. Bonds3

About [(2S,3R)-4-oxo-2-phenyl-2,3-dihydrochromen-3-yl]-propan-2-ylazanium

[(2S,3R)-4-oxo-2-phenyl-2,3-dihydrochromen-3-yl]-propan-2-ylazanium (PubChem CID 7212963) has the molecular formula C18H20NO2+ and a molecular weight of 282.36 g/mol. Its IUPAC name is [(2S,3R)-4-oxo-2-phenyl-2,3-dihydrochromen-3-yl]-propan-2-ylazanium.

Molecular Properties

Compound Name[(2S,3R)-4-oxo-2-phenyl-2,3-dihydrochromen-3-yl]-propan-2-ylazanium
PubChem CID7212963
Molecular FormulaC18H20NO2+
Molecular Weight282.36 g/mol
Exact Mass282.15
IUPAC Name[(2S,3R)-4-oxo-2-phenyl-2,3-dihydrochromen-3-yl]-propan-2-ylazanium
SMILESCC(C)[NH2+][C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1
InChIInChI=1S/C18H19NO2/c1-12(2)19-16-17(20)14-10-6-7-11-15(14)21-18(16)13-8-4-3-5-9-13/h3-12,16,18-19H,1-2H3/p+1/t16-,18-/m0/s1
InChIKeyFRKRBLLGUGLILE-WMZOPIPTSA-O
XLogP2.34
TPSA42.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3R)-3-methyl-2-phenyl-2,3-dihydrochromen-4-one
CID 12753183
3-methoxy-2-phenyl-2,3-dihydrochromen-4-one
CID 14713900
2-methyl-3-(4-oxo-2-phenyl-2,3-dihydrochromen-3-yl)propanenitrile
CID 23465642
2-phenyl-3-(propan-2-yliminomethyl)-2,3-dihydrochromen-4-one
CID 56607953
3-(4-oxo-2-phenyl-2,3-dihydrochromen-3-yl)butanenitrile
CID 23465620
(2R,3R)-3-(tert-butylamino)-2-phenyl-2,3-dihydrochromen-4-one
CID 14595238
(2R,3R)-3-nitro-2-phenyl-2,3-dihydrochromen-4-one
CID 23941129
3-(tert-butylamino)-2-phenyl-2,3-dihydrochromen-4-one;hydrochloride
CID 134106831
(2R,3R)-2-(4-chlorophenyl)-3-phenyl-2,3-dihydrochromen-4-one
CID 25171057
3-(2-hydroxyacetyl)-2-phenyl-2,3-dihydrochromen-4-one
CID 174476724
ethyl 3-oxo-2-[(4-oxo-2-phenyl-2,3-dihydrochromen-3-yl)methyl]butanoate
CID 23465604
ethane;2-phenyl-2,3-dihydrochromen-4-one
CID 91018475

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-4-oxo-2-phenyl-2,3-dihydrochromen-3-yl]-propan-2-ylazanium?
The IUPAC name of [(2S,3R)-4-oxo-2-phenyl-2,3-dihydrochromen-3-yl]-propan-2-ylazanium (CID 7212963) is [(2S,3R)-4-oxo-2-phenyl-2,3-dihydrochromen-3-yl]-propan-2-ylazanium.
What is the SMILES notation for [(2S,3R)-4-oxo-2-phenyl-2,3-dihydrochromen-3-yl]-propan-2-ylazanium?
The canonical SMILES for [(2S,3R)-4-oxo-2-phenyl-2,3-dihydrochromen-3-yl]-propan-2-ylazanium is CC(C)[NH2+][C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1.
What is the InChIKey of [(2S,3R)-4-oxo-2-phenyl-2,3-dihydrochromen-3-yl]-propan-2-ylazanium?
The InChIKey is FRKRBLLGUGLILE-WMZOPIPTSA-O. The full InChI is InChI=1S/C18H19NO2/c1-12(2)19-16-17(20)14-10-6-7-11-15(14)21-18(16)13-8-4-3-5-9-13/h3-12,16,18-19H,1-2H3/p+1/t16-,18-/m0/s1.
What are the key properties of [(2S,3R)-4-oxo-2-phenyl-2,3-dihydrochromen-3-yl]-propan-2-ylazanium?
[(2S,3R)-4-oxo-2-phenyl-2,3-dihydrochromen-3-yl]-propan-2-ylazanium has a molecular weight of 282.36 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-4-oxo-2-phenyl-2,3-dihydrochromen-3-yl]-propan-2-ylazanium is sourced from PubChem (CID 7212963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).