2-[4-(dimethylamino)phenyl]-3-hydroxy-6,7-dimethylchromen-4-one

C19H19NO3 — CID 56945192

IUPAC2-[4-(dimethylamino)phenyl]-3-hydroxy-6,7-dimethylchromen-4-one
SMILESCc1cc2oc(-c3ccc(N(C)C)cc3)c(O)c(=O)c2cc1C
InChIInChI=1S/C19H19NO3/c1-11-9-15-16(10-12(11)2)23-19(18(22)17(15)21)13-5-7-14(8-6-13)20(3)4/h5-10,22H,1-4H3
InChIKeyWRIWTYLNRACLEA-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.85
Rot. Bonds2

About 2-[4-(dimethylamino)phenyl]-3-hydroxy-6,7-dimethylchromen-4-one

2-[4-(dimethylamino)phenyl]-3-hydroxy-6,7-dimethylchromen-4-one (PubChem CID 56945192) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]-3-hydroxy-6,7-dimethylchromen-4-one.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]-3-hydroxy-6,7-dimethylchromen-4-one
PubChem CID56945192
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name2-[4-(dimethylamino)phenyl]-3-hydroxy-6,7-dimethylchromen-4-one
SMILESCc1cc2oc(-c3ccc(N(C)C)cc3)c(O)c(=O)c2cc1C
InChIInChI=1S/C19H19NO3/c1-11-9-15-16(10-12(11)2)23-19(18(22)17(15)21)13-5-7-14(8-6-13)20(3)4/h5-10,22H,1-4H3
InChIKeyWRIWTYLNRACLEA-UHFFFAOYSA-N
XLogP3.85
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(Dimethylamino)phenyl]-4h-Chromen-4-One
CID 1241435
6-Iodo-4'-dimethyaminoflavone
CID 11574659
2-[4-(Dimethylamino)phenyl]-3-hydroxybenzo[h]chromen-4-one
CID 2988186
2-(4-Pyrrolidin-1-ylphenyl)benzo[h]chromen-4-one
CID 56945190
2-[4-(Dimethylamino)phenyl]benzo[h]chromen-4-one
CID 56945194
3-Hydroxy-6,7-dimethyl-2-(4-pyrrolidin-1-ylphenyl)chromen-4-one
CID 56945294
3-Hydroxy-2-[3-hydroxy-4-(1-pyrrolidinyl)phenyl]-4H-naphtho[1,2-b]pyran-4-one
CID 56945296
3-Hydroxy-2-[3-hydroxy-4-(pyrrolidin-1-yl)phenyl]-6,7-dimethylchromen-4-one
CID 56945298
3-Hydroxy-2-(4-pyrrolidin-1-ylphenyl)benzo[h]chromen-4-one
CID 56946829
7-[4-(Dimethylamino)phenyl]-5-hydroxy-2-phenylchromen-4-one
CID 164524586
4'-Dimethylaminoflavonol
CID 624630
2,3-Dimethyl-6-[2-(1-methylpyrrolidin-2-yl)ethylamino]xanthone
CID 24747858

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)phenyl]-3-hydroxy-6,7-dimethylchromen-4-one?
The IUPAC name of 2-[4-(dimethylamino)phenyl]-3-hydroxy-6,7-dimethylchromen-4-one (CID 56945192) is 2-[4-(dimethylamino)phenyl]-3-hydroxy-6,7-dimethylchromen-4-one.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]-3-hydroxy-6,7-dimethylchromen-4-one?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]-3-hydroxy-6,7-dimethylchromen-4-one is Cc1cc2oc(-c3ccc(N(C)C)cc3)c(O)c(=O)c2cc1C.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]-3-hydroxy-6,7-dimethylchromen-4-one?
The InChIKey is WRIWTYLNRACLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-11-9-15-16(10-12(11)2)23-19(18(22)17(15)21)13-5-7-14(8-6-13)20(3)4/h5-10,22H,1-4H3.
What are the key properties of 2-[4-(dimethylamino)phenyl]-3-hydroxy-6,7-dimethylchromen-4-one?
2-[4-(dimethylamino)phenyl]-3-hydroxy-6,7-dimethylchromen-4-one has a molecular weight of 309.37 g/mol, XLogP of 3.85, 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-hydroxy-6,7-dimethylchromen-4-one is sourced from PubChem (CID 56945192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).