3-methoxy-6-methyl-2-[4-(N-methylanilino)phenyl]chromen-4-one

C24H21NO3 — CID 118594281

IUPAC3-methoxy-6-methyl-2-[4-(N-methylanilino)phenyl]chromen-4-one
SMILESCOc1c(-c2ccc(N(C)c3ccccc3)cc2)oc2ccc(C)cc2c1=O
InChIInChI=1S/C24H21NO3/c1-16-9-14-21-20(15-16)22(26)24(27-3)23(28-21)17-10-12-19(13-11-17)25(2)18-7-5-4-6-8-18/h4-15H,1-3H3
InChIKeyGUXOMBAVGHRRBB-UHFFFAOYSA-N
MW371.44 g/mol
LogP5.54
Rot. Bonds4

About 3-methoxy-6-methyl-2-[4-(N-methylanilino)phenyl]chromen-4-one

3-methoxy-6-methyl-2-[4-(N-methylanilino)phenyl]chromen-4-one (PubChem CID 118594281) has the molecular formula C24H21NO3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 3-methoxy-6-methyl-2-[4-(N-methylanilino)phenyl]chromen-4-one.

Molecular Properties

Compound Name3-methoxy-6-methyl-2-[4-(N-methylanilino)phenyl]chromen-4-one
PubChem CID118594281
Molecular FormulaC24H21NO3
Molecular Weight371.44 g/mol
Exact Mass371.15
IUPAC Name3-methoxy-6-methyl-2-[4-(N-methylanilino)phenyl]chromen-4-one
SMILESCOc1c(-c2ccc(N(C)c3ccccc3)cc2)oc2ccc(C)cc2c1=O
InChIInChI=1S/C24H21NO3/c1-16-9-14-21-20(15-16)22(26)24(27-3)23(28-21)17-10-12-19(13-11-17)25(2)18-7-5-4-6-8-18/h4-15H,1-3H3
InChIKeyGUXOMBAVGHRRBB-UHFFFAOYSA-N
XLogP5.54
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.44
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-2-(4-methylphenyl)chromen-4-one
CID 139049420
3-iodo-6-methyl-2-phenylchromen-4-one
CID 164665609
3,6-dimethoxy-2-(4-methoxyphenyl)chromen-4-one
CID 14804651
6-chloro-3-methoxy-7-methyl-2-(4-methylphenyl)chromen-4-one
CID 7747630
2-methyl-7-phenylxanthen-9-one
CID 123326805
2-methylxanthen-9-one;xanthen-9-one
CID 70546954
benzene;N,4-dimethyl-N-phenylaniline
CID 71196716
5-hydroxy-3,7-dimethoxy-2-phenylchromen-4-one
CID 139068259
6-chloro-3-[3-(4-methylphenoxy)propoxy]-2-phenylchromen-4-one
CID 7746607
4-[dimethyl-(4-methylphenyl)silyl]-N-methyl-N-phenylaniline
CID 23593074
5-methyl-2-phenyl-1-benzofuran-3-ol
CID 71372497
8-methyl-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine
CID 163712380

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-6-methyl-2-[4-(N-methylanilino)phenyl]chromen-4-one?
The IUPAC name of 3-methoxy-6-methyl-2-[4-(N-methylanilino)phenyl]chromen-4-one (CID 118594281) is 3-methoxy-6-methyl-2-[4-(N-methylanilino)phenyl]chromen-4-one.
What is the SMILES notation for 3-methoxy-6-methyl-2-[4-(N-methylanilino)phenyl]chromen-4-one?
The canonical SMILES for 3-methoxy-6-methyl-2-[4-(N-methylanilino)phenyl]chromen-4-one is COc1c(-c2ccc(N(C)c3ccccc3)cc2)oc2ccc(C)cc2c1=O.
What is the InChIKey of 3-methoxy-6-methyl-2-[4-(N-methylanilino)phenyl]chromen-4-one?
The InChIKey is GUXOMBAVGHRRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO3/c1-16-9-14-21-20(15-16)22(26)24(27-3)23(28-21)17-10-12-19(13-11-17)25(2)18-7-5-4-6-8-18/h4-15H,1-3H3.
What are the key properties of 3-methoxy-6-methyl-2-[4-(N-methylanilino)phenyl]chromen-4-one?
3-methoxy-6-methyl-2-[4-(N-methylanilino)phenyl]chromen-4-one has a molecular weight of 371.44 g/mol, XLogP of 5.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-6-methyl-2-[4-(N-methylanilino)phenyl]chromen-4-one is sourced from PubChem (CID 118594281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).