2-phenyl-3-(propan-2-yliminomethyl)-2,3-dihydrochromen-4-one

C19H19NO2 — CID 56607953

IUPAC2-phenyl-3-(propan-2-yliminomethyl)-2,3-dihydrochromen-4-one
SMILESCC(C)/N=C/C1C(=O)c2ccccc2OC1c1ccccc1
InChIInChI=1S/C19H19NO2/c1-13(2)20-12-16-18(21)15-10-6-7-11-17(15)22-19(16)14-8-4-3-5-9-14/h3-13,16,19H,1-2H3/b20-12+
InChIKeyGLQFNOZEYQOOFD-UDWIEESQSA-N
MW293.37 g/mol
LogP4.10
Rot. Bonds3

About 2-phenyl-3-(propan-2-yliminomethyl)-2,3-dihydrochromen-4-one

2-phenyl-3-(propan-2-yliminomethyl)-2,3-dihydrochromen-4-one (PubChem CID 56607953) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-phenyl-3-(propan-2-yliminomethyl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name2-phenyl-3-(propan-2-yliminomethyl)-2,3-dihydrochromen-4-one
PubChem CID56607953
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name2-phenyl-3-(propan-2-yliminomethyl)-2,3-dihydrochromen-4-one
SMILESCC(C)/N=C/C1C(=O)c2ccccc2OC1c1ccccc1
InChIInChI=1S/C19H19NO2/c1-13(2)20-12-16-18(21)15-10-6-7-11-17(15)22-19(16)14-8-4-3-5-9-14/h3-13,16,19H,1-2H3/b20-12+
InChIKeyGLQFNOZEYQOOFD-UDWIEESQSA-N
XLogP4.10
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(2R,3R)-3-methyl-2-phenyl-2,3-dihydrochromen-4-one
CID 12753183
[(2S,3R)-4-oxo-2-phenyl-2,3-dihydrochromen-3-yl]-propan-2-ylazanium
CID 7212963
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
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
ethane;2-phenyl-2,3-dihydrochromen-4-one
CID 91018475
(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

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-(propan-2-yliminomethyl)-2,3-dihydrochromen-4-one?
The IUPAC name of 2-phenyl-3-(propan-2-yliminomethyl)-2,3-dihydrochromen-4-one (CID 56607953) is 2-phenyl-3-(propan-2-yliminomethyl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for 2-phenyl-3-(propan-2-yliminomethyl)-2,3-dihydrochromen-4-one?
The canonical SMILES for 2-phenyl-3-(propan-2-yliminomethyl)-2,3-dihydrochromen-4-one is CC(C)/N=C/C1C(=O)c2ccccc2OC1c1ccccc1.
What is the InChIKey of 2-phenyl-3-(propan-2-yliminomethyl)-2,3-dihydrochromen-4-one?
The InChIKey is GLQFNOZEYQOOFD-UDWIEESQSA-N. The full InChI is InChI=1S/C19H19NO2/c1-13(2)20-12-16-18(21)15-10-6-7-11-17(15)22-19(16)14-8-4-3-5-9-14/h3-13,16,19H,1-2H3/b20-12+.
What are the key properties of 2-phenyl-3-(propan-2-yliminomethyl)-2,3-dihydrochromen-4-one?
2-phenyl-3-(propan-2-yliminomethyl)-2,3-dihydrochromen-4-one has a molecular weight of 293.37 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-(propan-2-yliminomethyl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 56607953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).