3-methyl-8-(methylamino)-2-phenylchromen-4-one

C17H15NO2 — CID 19972540

IUPAC3-methyl-8-(methylamino)-2-phenylchromen-4-one
SMILESCNc1cccc2c(=O)c(C)c(-c3ccccc3)oc12
InChIInChI=1S/C17H15NO2/c1-11-15(19)13-9-6-10-14(18-2)17(13)20-16(11)12-7-4-3-5-8-12/h3-10,18H,1-2H3
InChIKeyVEJXEPSOOWFEQF-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.81
Rot. Bonds2

About 3-methyl-8-(methylamino)-2-phenylchromen-4-one

3-methyl-8-(methylamino)-2-phenylchromen-4-one (PubChem CID 19972540) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-methyl-8-(methylamino)-2-phenylchromen-4-one.

Molecular Properties

Compound Name3-methyl-8-(methylamino)-2-phenylchromen-4-one
PubChem CID19972540
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name3-methyl-8-(methylamino)-2-phenylchromen-4-one
SMILESCNc1cccc2c(=O)c(C)c(-c3ccccc3)oc12
InChIInChI=1S/C17H15NO2/c1-11-15(19)13-9-6-10-14(18-2)17(13)20-16(11)12-7-4-3-5-8-12/h3-10,18H,1-2H3
InChIKeyVEJXEPSOOWFEQF-UHFFFAOYSA-N
XLogP3.81
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-(methylamino)-2-phenylchromen-4-one?
The IUPAC name of 3-methyl-8-(methylamino)-2-phenylchromen-4-one (CID 19972540) is 3-methyl-8-(methylamino)-2-phenylchromen-4-one.
What is the SMILES notation for 3-methyl-8-(methylamino)-2-phenylchromen-4-one?
The canonical SMILES for 3-methyl-8-(methylamino)-2-phenylchromen-4-one is CNc1cccc2c(=O)c(C)c(-c3ccccc3)oc12.
What is the InChIKey of 3-methyl-8-(methylamino)-2-phenylchromen-4-one?
The InChIKey is VEJXEPSOOWFEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-11-15(19)13-9-6-10-14(18-2)17(13)20-16(11)12-7-4-3-5-8-12/h3-10,18H,1-2H3.
What are the key properties of 3-methyl-8-(methylamino)-2-phenylchromen-4-one?
3-methyl-8-(methylamino)-2-phenylchromen-4-one has a molecular weight of 265.31 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-(methylamino)-2-phenylchromen-4-one is sourced from PubChem (CID 19972540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).