6-(4-methoxyanilino)-2,3-dihydrochromen-4-one

C16H15NO3 — CID 164680994

IUPAC6-(4-methoxyanilino)-2,3-dihydrochromen-4-one
SMILESCOc1ccc(Nc2ccc3c(c2)C(=O)CCO3)cc1
InChIInChI=1S/C16H15NO3/c1-19-13-5-2-11(3-6-13)17-12-4-7-16-14(10-12)15(18)8-9-20-16/h2-7,10,17H,8-9H2,1H3
InChIKeyLIARZKXOUAEJDY-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.40
Rot. Bonds3

About 6-(4-methoxyanilino)-2,3-dihydrochromen-4-one

6-(4-methoxyanilino)-2,3-dihydrochromen-4-one (PubChem CID 164680994) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 6-(4-methoxyanilino)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name6-(4-methoxyanilino)-2,3-dihydrochromen-4-one
PubChem CID164680994
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name6-(4-methoxyanilino)-2,3-dihydrochromen-4-one
SMILESCOc1ccc(Nc2ccc3c(c2)C(=O)CCO3)cc1
InChIInChI=1S/C16H15NO3/c1-19-13-5-2-11(3-6-13)17-12-4-7-16-14(10-12)15(18)8-9-20-16/h2-7,10,17H,8-9H2,1H3
InChIKeyLIARZKXOUAEJDY-UHFFFAOYSA-N
XLogP3.40
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyanilino)-2,3-dihydrochromen-4-one?
The IUPAC name of 6-(4-methoxyanilino)-2,3-dihydrochromen-4-one (CID 164680994) is 6-(4-methoxyanilino)-2,3-dihydrochromen-4-one.
What is the SMILES notation for 6-(4-methoxyanilino)-2,3-dihydrochromen-4-one?
The canonical SMILES for 6-(4-methoxyanilino)-2,3-dihydrochromen-4-one is COc1ccc(Nc2ccc3c(c2)C(=O)CCO3)cc1.
What is the InChIKey of 6-(4-methoxyanilino)-2,3-dihydrochromen-4-one?
The InChIKey is LIARZKXOUAEJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-19-13-5-2-11(3-6-13)17-12-4-7-16-14(10-12)15(18)8-9-20-16/h2-7,10,17H,8-9H2,1H3.
What are the key properties of 6-(4-methoxyanilino)-2,3-dihydrochromen-4-one?
6-(4-methoxyanilino)-2,3-dihydrochromen-4-one has a molecular weight of 269.30 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyanilino)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 164680994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).