(2R)-2-(dimethylamino)-2-phenyl-1-benzofuran-3-one

C16H15NO2 — CID 139129040

IUPAC(2R)-2-(dimethylamino)-2-phenyl-1-benzofuran-3-one
SMILESCN(C)[C@]1(c2ccccc2)Oc2ccccc2C1=O
InChIInChI=1S/C16H15NO2/c1-17(2)16(12-8-4-3-5-9-12)15(18)13-10-6-7-11-14(13)19-16/h3-11H,1-2H3/t16-/m1/s1
InChIKeyULIFAJBSOXEPPR-MRXNPFEDSA-N
MW253.30 g/mol
LogP2.68
Rot. Bonds2

About (2R)-2-(dimethylamino)-2-phenyl-1-benzofuran-3-one

(2R)-2-(dimethylamino)-2-phenyl-1-benzofuran-3-one (PubChem CID 139129040) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is (2R)-2-(dimethylamino)-2-phenyl-1-benzofuran-3-one.

Molecular Properties

Compound Name(2R)-2-(dimethylamino)-2-phenyl-1-benzofuran-3-one
PubChem CID139129040
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name(2R)-2-(dimethylamino)-2-phenyl-1-benzofuran-3-one
SMILESCN(C)[C@]1(c2ccccc2)Oc2ccccc2C1=O
InChIInChI=1S/C16H15NO2/c1-17(2)16(12-8-4-3-5-9-12)15(18)13-10-6-7-11-14(13)19-16/h3-11H,1-2H3/t16-/m1/s1
InChIKeyULIFAJBSOXEPPR-MRXNPFEDSA-N
XLogP2.68
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-oxo-2,3-diphenylchromen-2-olate
CID 134840633
(3-chloro-2-methyl-4-oxo-2-phenylchromen-3-yl) thiohypochlorite
CID 15189154
2-methoxy-2-methyl-1-benzofuran-3-one
CID 13400306
2,2-bis(trifluoromethyl)-1-benzofuran-3-one
CID 13384251
3-[di(propan-2-yl)amino]-3-phenyl-2-benzofuran-1-one
CID 13221616
(1aS,7aR)-7a-phenyl-1aH-oxireno[2,3-b]chromen-7-one
CID 13430215
9a-phenyl-2H-furo[2,3-b]chromen-4-one
CID 91465607
2',2',3,4-tetramethylspiro[2,5-dihydrothiopyran-6,3'-chromene]-4'-one
CID 101196318
(2S)-6-methoxy-2-[(2R)-6-methoxy-3-oxo-2-phenyl-1-benzofuran-2-yl]-2-phenyl-1-benzofuran-3-one
CID 11826912
2,2-dimethyl-3H-chromen-4-one;ethane
CID 90690524
2-amino-2-phenylindene-1,3-dione
CID 12652647
2-methyl-1,3,2-benzodioxabismin-4-one
CID 161134790

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(dimethylamino)-2-phenyl-1-benzofuran-3-one?
The IUPAC name of (2R)-2-(dimethylamino)-2-phenyl-1-benzofuran-3-one (CID 139129040) is (2R)-2-(dimethylamino)-2-phenyl-1-benzofuran-3-one.
What is the SMILES notation for (2R)-2-(dimethylamino)-2-phenyl-1-benzofuran-3-one?
The canonical SMILES for (2R)-2-(dimethylamino)-2-phenyl-1-benzofuran-3-one is CN(C)[C@]1(c2ccccc2)Oc2ccccc2C1=O.
What is the InChIKey of (2R)-2-(dimethylamino)-2-phenyl-1-benzofuran-3-one?
The InChIKey is ULIFAJBSOXEPPR-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H15NO2/c1-17(2)16(12-8-4-3-5-9-12)15(18)13-10-6-7-11-14(13)19-16/h3-11H,1-2H3/t16-/m1/s1.
What are the key properties of (2R)-2-(dimethylamino)-2-phenyl-1-benzofuran-3-one?
(2R)-2-(dimethylamino)-2-phenyl-1-benzofuran-3-one has a molecular weight of 253.30 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(dimethylamino)-2-phenyl-1-benzofuran-3-one is sourced from PubChem (CID 139129040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).