8-[(dimethylamino)methyl]-6-ethyl-7-hydroxy-2-methyl-3-phenylchromen-4-one

C21H23NO3 — CID 3356015

IUPAC8-[(dimethylamino)methyl]-6-ethyl-7-hydroxy-2-methyl-3-phenylchromen-4-one
SMILESCCc1cc2c(=O)c(-c3ccccc3)c(C)oc2c(CN(C)C)c1O
InChIInChI=1S/C21H23NO3/c1-5-14-11-16-20(24)18(15-9-7-6-8-10-15)13(2)25-21(16)17(19(14)23)12-22(3)4/h6-11,23H,5,12H2,1-4H3
InChIKeyYDARMKXGMVUJBZ-UHFFFAOYSA-N
MW337.42 g/mol
LogP4.10
Rot. Bonds4

About 8-[(dimethylamino)methyl]-6-ethyl-7-hydroxy-2-methyl-3-phenylchromen-4-one

8-[(dimethylamino)methyl]-6-ethyl-7-hydroxy-2-methyl-3-phenylchromen-4-one (PubChem CID 3356015) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is 8-[(dimethylamino)methyl]-6-ethyl-7-hydroxy-2-methyl-3-phenylchromen-4-one.

Molecular Properties

Compound Name8-[(dimethylamino)methyl]-6-ethyl-7-hydroxy-2-methyl-3-phenylchromen-4-one
PubChem CID3356015
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name8-[(dimethylamino)methyl]-6-ethyl-7-hydroxy-2-methyl-3-phenylchromen-4-one
SMILESCCc1cc2c(=O)c(-c3ccccc3)c(C)oc2c(CN(C)C)c1O
InChIInChI=1S/C21H23NO3/c1-5-14-11-16-20(24)18(15-9-7-6-8-10-15)13(2)25-21(16)17(19(14)23)12-22(3)4/h6-11,23H,5,12H2,1-4H3
InChIKeyYDARMKXGMVUJBZ-UHFFFAOYSA-N
XLogP4.10
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

8-[(dimethylamino)methyl]-6-ethyl-7-hydroxy-2-methyl-3-phenoxychromen-4-one
CID 985362
3-(2-chlorophenyl)-8-[(dimethylamino)methyl]-7-hydroxy-2-methylchromen-4-one
CID 5407926
7-hydroxy-2-methyl-3-phenyl-8-[[propyl(2,2,2-trifluoroethyl)amino]methyl]chromen-4-one
CID 55861071
6-ethyl-7-hydroxy-2-methyl-3-(3-methyl-1H-benzimidazol-3-ium-2-yl)-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]chromen-4-one
CID 4747674
3-(1,3-benzothiazol-2-yl)-8-[(dimethylamino)methyl]-7-hydroxy-6-propyl-2-(trifluoromethyl)chromen-4-one
CID 2129846
7-hydroxy-2-methyl-3-phenyl-8-(piperidin-1-ylmethyl)chromen-4-one
CID 5361809
3-benzyl-6-chloro-8-[(dimethylamino)methyl]-7-hydroxy-4-methylchromen-2-one
CID 5429720
8-(3-aminopentan-3-yl)-7-hydroxy-2-methyl-3-phenylchromen-4-one
CID 21159664
8-[(dimethylamino)methyl]-7-hydroxy-4-phenylchromen-2-one
CID 5395997
6-ethyl-7-hydroxy-2-methyl-3-(1-methylbenzimidazol-2-yl)-8-(morpholin-4-ium-4-ylmethyl)chromen-4-one
CID 4755245
8-[(dimethylamino)methyl]-3-(2-fluorophenoxy)-7-hydroxy-2-methylchromen-4-one
CID 5412998
2-bromo-7-[(dimethylamino)methyl]-3-phenyl-1-benzofuran-6-ol;hydrochloride
CID 138400391

Frequently Asked Questions

What is the IUPAC name of 8-[(dimethylamino)methyl]-6-ethyl-7-hydroxy-2-methyl-3-phenylchromen-4-one?
The IUPAC name of 8-[(dimethylamino)methyl]-6-ethyl-7-hydroxy-2-methyl-3-phenylchromen-4-one (CID 3356015) is 8-[(dimethylamino)methyl]-6-ethyl-7-hydroxy-2-methyl-3-phenylchromen-4-one.
What is the SMILES notation for 8-[(dimethylamino)methyl]-6-ethyl-7-hydroxy-2-methyl-3-phenylchromen-4-one?
The canonical SMILES for 8-[(dimethylamino)methyl]-6-ethyl-7-hydroxy-2-methyl-3-phenylchromen-4-one is CCc1cc2c(=O)c(-c3ccccc3)c(C)oc2c(CN(C)C)c1O.
What is the InChIKey of 8-[(dimethylamino)methyl]-6-ethyl-7-hydroxy-2-methyl-3-phenylchromen-4-one?
The InChIKey is YDARMKXGMVUJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3/c1-5-14-11-16-20(24)18(15-9-7-6-8-10-15)13(2)25-21(16)17(19(14)23)12-22(3)4/h6-11,23H,5,12H2,1-4H3.
What are the key properties of 8-[(dimethylamino)methyl]-6-ethyl-7-hydroxy-2-methyl-3-phenylchromen-4-one?
8-[(dimethylamino)methyl]-6-ethyl-7-hydroxy-2-methyl-3-phenylchromen-4-one has a molecular weight of 337.42 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(dimethylamino)methyl]-6-ethyl-7-hydroxy-2-methyl-3-phenylchromen-4-one is sourced from PubChem (CID 3356015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).