2-[4-(dimethylamino)phenyl]-3-hydroxychromen-4-one

C17H15NO3 — CID 624630

IUPAC2-[4-(dimethylamino)phenyl]-3-hydroxychromen-4-one
SMILESCN(C)c1ccc(-c2oc3ccccc3c(=O)c2O)cc1
InChIInChI=1S/C17H15NO3/c1-18(2)12-9-7-11(8-10-12)17-16(20)15(19)13-5-3-4-6-14(13)21-17/h3-10,20H,1-2H3
InChIKeyBLHYLBIDBHWACD-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.23
Rot. Bonds2

About 2-[4-(dimethylamino)phenyl]-3-hydroxychromen-4-one

2-[4-(dimethylamino)phenyl]-3-hydroxychromen-4-one (PubChem CID 624630) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]-3-hydroxychromen-4-one.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]-3-hydroxychromen-4-one
PubChem CID624630
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name2-[4-(dimethylamino)phenyl]-3-hydroxychromen-4-one
SMILESCN(C)c1ccc(-c2oc3ccccc3c(=O)c2O)cc1
InChIInChI=1S/C17H15NO3/c1-18(2)12-9-7-11(8-10-12)17-16(20)15(19)13-5-3-4-6-14(13)21-17/h3-10,20H,1-2H3
InChIKeyBLHYLBIDBHWACD-UHFFFAOYSA-N
XLogP3.23
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3(2H)-Benzofuranone, 2-((4-(dimethylamino)phenyl)methylene)-
CID 5900716
(E)-3-(4-(Dimethylamino)benzylidene)chroman-4-one
CID 6524131
2-[4-(Dimethylamino)phenyl]-4h-Chromen-4-One
CID 1241435
6-Iodo-4'-dimethyaminoflavone
CID 11574659
6-Iodo-4'-methylaminoflavone
CID 11632242
(Z)-2-(4-(dimethylamino)benzylidene)-6-hydroxybenzofuran-3(2H)-one
CID 1523065
(2Z)-2-[(4-dimethylaminophenyl)methylene]benzofuran-3-one
CID 5467627
3-(4-(Dimethylamino)phenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one
CID 5331296
3-{(2E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl}-4-hydroxy-2H-chromen-2-one
CID 54707106
[2-(2-Methoxyphenyl)-2-oxoethyl] 4-(dimethylamino)benzoate
CID 2358432
2-[4-(Dimethylamino)benzylidene]-6-hydroxy-1-benzofuran-3(2h)-one
CID 1523064
2-[4-(Dimethylamino)phenyl]-3-hydroxybenzo[h]chromen-4-one
CID 2988186

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)phenyl]-3-hydroxychromen-4-one?
The IUPAC name of 2-[4-(dimethylamino)phenyl]-3-hydroxychromen-4-one (CID 624630) is 2-[4-(dimethylamino)phenyl]-3-hydroxychromen-4-one.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]-3-hydroxychromen-4-one?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]-3-hydroxychromen-4-one is CN(C)c1ccc(-c2oc3ccccc3c(=O)c2O)cc1.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]-3-hydroxychromen-4-one?
The InChIKey is BLHYLBIDBHWACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-18(2)12-9-7-11(8-10-12)17-16(20)15(19)13-5-3-4-6-14(13)21-17/h3-10,20H,1-2H3.
What are the key properties of 2-[4-(dimethylamino)phenyl]-3-hydroxychromen-4-one?
2-[4-(dimethylamino)phenyl]-3-hydroxychromen-4-one has a molecular weight of 281.31 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)phenyl]-3-hydroxychromen-4-one is sourced from PubChem (CID 624630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).