8-[(dimethylamino)methyl]-7-methoxy-3-methyl-2-phenylchromen-4-one

C20H21NO3 — CID 3078

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IUPAC8-[(dimethylamino)methyl]-7-methoxy-3-methyl-2-phenylchromen-4-one
SMILESCOc1ccc2c(=O)c(C)c(-c3ccccc3)oc2c1CN(C)C
InChIInChI=1S/C20H21NO3/c1-13-18(22)15-10-11-17(23-4)16(12-21(2)3)20(15)24-19(13)14-8-6-5-7-9-14/h5-11H,12H2,1-4H3
InChIKeyZXFQRFXLFWWKLX-UHFFFAOYSA-N
MW323.39 g/mol
LogP3.84
Rot. Bonds4

About 8-[(dimethylamino)methyl]-7-methoxy-3-methyl-2-phenylchromen-4-one

8-[(dimethylamino)methyl]-7-methoxy-3-methyl-2-phenylchromen-4-one (PubChem CID 3078) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is 8-[(dimethylamino)methyl]-7-methoxy-3-methyl-2-phenylchromen-4-one.

Molecular Properties

Compound Name8-[(dimethylamino)methyl]-7-methoxy-3-methyl-2-phenylchromen-4-one
PubChem CID3078
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name8-[(dimethylamino)methyl]-7-methoxy-3-methyl-2-phenylchromen-4-one
SMILESCOc1ccc2c(=O)c(C)c(-c3ccccc3)oc2c1CN(C)C
InChIInChI=1S/C20H21NO3/c1-13-18(22)15-10-11-17(23-4)16(12-21(2)3)20(15)24-19(13)14-8-6-5-7-9-14/h5-11H,12H2,1-4H3
InChIKeyZXFQRFXLFWWKLX-UHFFFAOYSA-N
XLogP3.84
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 354368
Isopongaflavone
CID 10958572
Dimethylstrobochrysin
CID 44257640
7-Methoxyflavone
CID 466268
Ficine
CID 5281824
Mepixanox
CID 65687
Millepachine
CID 66573474
O-Demethylbuchenavianine
CID 5352072
Dimefline Hydrochloride
CID 443942
7-Methoxy-2-phenethylchromone
CID 10493001
Buchenavianine
CID 393062
7-Methoxypraecansone B
CID 10452362

Frequently Asked Questions

What is the IUPAC name of 8-[(dimethylamino)methyl]-7-methoxy-3-methyl-2-phenylchromen-4-one?
The IUPAC name of 8-[(dimethylamino)methyl]-7-methoxy-3-methyl-2-phenylchromen-4-one (CID 3078) is 8-[(dimethylamino)methyl]-7-methoxy-3-methyl-2-phenylchromen-4-one.
What is the SMILES notation for 8-[(dimethylamino)methyl]-7-methoxy-3-methyl-2-phenylchromen-4-one?
The canonical SMILES for 8-[(dimethylamino)methyl]-7-methoxy-3-methyl-2-phenylchromen-4-one is COc1ccc2c(=O)c(C)c(-c3ccccc3)oc2c1CN(C)C.
What is the InChIKey of 8-[(dimethylamino)methyl]-7-methoxy-3-methyl-2-phenylchromen-4-one?
The InChIKey is ZXFQRFXLFWWKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-13-18(22)15-10-11-17(23-4)16(12-21(2)3)20(15)24-19(13)14-8-6-5-7-9-14/h5-11H,12H2,1-4H3.
What are the key properties of 8-[(dimethylamino)methyl]-7-methoxy-3-methyl-2-phenylchromen-4-one?
8-[(dimethylamino)methyl]-7-methoxy-3-methyl-2-phenylchromen-4-one has a molecular weight of 323.39 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(dimethylamino)methyl]-7-methoxy-3-methyl-2-phenylchromen-4-one is sourced from PubChem (CID 3078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).