ethane;4-methyl-7-[3-methyl-4-(methylamino)phenyl]chromen-2-one

C20H23NO2 — CID 143196035

IUPACethane;4-methyl-7-[3-methyl-4-(methylamino)phenyl]chromen-2-one
SMILESCC.CNc1ccc(-c2ccc3c(C)cc(=O)oc3c2)cc1C
InChIInChI=1S/C18H17NO2.C2H6/c1-11-9-18(20)21-17-10-14(4-6-15(11)17)13-5-7-16(19-3)12(2)8-13;1-2/h4-10,19H,1-3H3;1-2H3
InChIKeyDGWVTJGWHUDKNO-UHFFFAOYSA-N
MW309.41 g/mol
LogP5.14
Rot. Bonds2

About ethane;4-methyl-7-[3-methyl-4-(methylamino)phenyl]chromen-2-one

ethane;4-methyl-7-[3-methyl-4-(methylamino)phenyl]chromen-2-one (PubChem CID 143196035) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is ethane;4-methyl-7-[3-methyl-4-(methylamino)phenyl]chromen-2-one.

Molecular Properties

Compound Nameethane;4-methyl-7-[3-methyl-4-(methylamino)phenyl]chromen-2-one
PubChem CID143196035
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Nameethane;4-methyl-7-[3-methyl-4-(methylamino)phenyl]chromen-2-one
SMILESCC.CNc1ccc(-c2ccc3c(C)cc(=O)oc3c2)cc1C
InChIInChI=1S/C18H17NO2.C2H6/c1-11-9-18(20)21-17-10-14(4-6-15(11)17)13-5-7-16(19-3)12(2)8-13;1-2/h4-10,19H,1-3H3;1-2H3
InChIKeyDGWVTJGWHUDKNO-UHFFFAOYSA-N
XLogP5.14
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.41
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethane;4-methyl-7-[3-methyl-4-(methylamino)phenyl]chromen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-7-(4-methylphenyl)chromen-2-one
CID 131978430
CID 89064299
CID 89064299
7-ethyl-4-methylchromen-2-one
CID 5160585
4-methyl-7-nitrosochromen-2-one
CID 122373464
sodium;hydride;7-hydroxy-4-methylchromen-2-one
CID 172995509
N-(4-methyl-2-oxochromen-7-yl)cyclopropanecarboxamide
CID 26878502
7-hydroxy-4-methylchromen-2-one;methanesulfonic acid
CID 88677960
N-(4,7-dimethyl-2-oxochromen-6-yl)-4-methylbenzenesulfonamide;ethane
CID 178026568
7-isocyano-4-methylchromen-2-one
CID 12971176
4-methyl-7-methylsulfinylchromen-2-one
CID 162642075
N-(4-ethylphenyl)-4-(4-methyl-2-oxochromen-7-yl)benzamide
CID 154700876
7-anilino-4-methylchromen-2-one
CID 804341

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-7-[3-methyl-4-(methylamino)phenyl]chromen-2-one?
The IUPAC name of ethane;4-methyl-7-[3-methyl-4-(methylamino)phenyl]chromen-2-one (CID 143196035) is ethane;4-methyl-7-[3-methyl-4-(methylamino)phenyl]chromen-2-one.
What is the SMILES notation for ethane;4-methyl-7-[3-methyl-4-(methylamino)phenyl]chromen-2-one?
The canonical SMILES for ethane;4-methyl-7-[3-methyl-4-(methylamino)phenyl]chromen-2-one is CC.CNc1ccc(-c2ccc3c(C)cc(=O)oc3c2)cc1C.
What is the InChIKey of ethane;4-methyl-7-[3-methyl-4-(methylamino)phenyl]chromen-2-one?
The InChIKey is DGWVTJGWHUDKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2.C2H6/c1-11-9-18(20)21-17-10-14(4-6-15(11)17)13-5-7-16(19-3)12(2)8-13;1-2/h4-10,19H,1-3H3;1-2H3.
What are the key properties of ethane;4-methyl-7-[3-methyl-4-(methylamino)phenyl]chromen-2-one?
ethane;4-methyl-7-[3-methyl-4-(methylamino)phenyl]chromen-2-one has a molecular weight of 309.41 g/mol, XLogP of 5.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-7-[3-methyl-4-(methylamino)phenyl]chromen-2-one is sourced from PubChem (CID 143196035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).