2-[(4-aminophenoxy)methyl]-6-hydroxy-2,5,7,8-tetramethyl-3H-chromen-4-one

C20H23NO4 — CID 10980763

IUPAC2-[(4-aminophenoxy)methyl]-6-hydroxy-2,5,7,8-tetramethyl-3H-chromen-4-one
SMILESCc1c(C)c2c(c(C)c1O)C(=O)CC(C)(COc1ccc(N)cc1)O2
InChIInChI=1S/C20H23NO4/c1-11-12(2)19-17(13(3)18(11)23)16(22)9-20(4,25-19)10-24-15-7-5-14(21)6-8-15/h5-8,23H,9-10,21H2,1-4H3
InChIKeyQKMRJWQWRVPEHE-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.70
Rot. Bonds3

About 2-[(4-aminophenoxy)methyl]-6-hydroxy-2,5,7,8-tetramethyl-3H-chromen-4-one

2-[(4-aminophenoxy)methyl]-6-hydroxy-2,5,7,8-tetramethyl-3H-chromen-4-one (PubChem CID 10980763) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-[(4-aminophenoxy)methyl]-6-hydroxy-2,5,7,8-tetramethyl-3H-chromen-4-one.

Molecular Properties

Compound Name2-[(4-aminophenoxy)methyl]-6-hydroxy-2,5,7,8-tetramethyl-3H-chromen-4-one
PubChem CID10980763
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name2-[(4-aminophenoxy)methyl]-6-hydroxy-2,5,7,8-tetramethyl-3H-chromen-4-one
SMILESCc1c(C)c2c(c(C)c1O)C(=O)CC(C)(COc1ccc(N)cc1)O2
InChIInChI=1S/C20H23NO4/c1-11-12(2)19-17(13(3)18(11)23)16(22)9-20(4,25-19)10-24-15-7-5-14(21)6-8-15/h5-8,23H,9-10,21H2,1-4H3
InChIKeyQKMRJWQWRVPEHE-UHFFFAOYSA-N
XLogP3.70
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminophenoxy)methyl]-6-hydroxy-2,5,7,8-tetramethyl-3H-chromen-4-one?
The IUPAC name of 2-[(4-aminophenoxy)methyl]-6-hydroxy-2,5,7,8-tetramethyl-3H-chromen-4-one (CID 10980763) is 2-[(4-aminophenoxy)methyl]-6-hydroxy-2,5,7,8-tetramethyl-3H-chromen-4-one.
What is the SMILES notation for 2-[(4-aminophenoxy)methyl]-6-hydroxy-2,5,7,8-tetramethyl-3H-chromen-4-one?
The canonical SMILES for 2-[(4-aminophenoxy)methyl]-6-hydroxy-2,5,7,8-tetramethyl-3H-chromen-4-one is Cc1c(C)c2c(c(C)c1O)C(=O)CC(C)(COc1ccc(N)cc1)O2.
What is the InChIKey of 2-[(4-aminophenoxy)methyl]-6-hydroxy-2,5,7,8-tetramethyl-3H-chromen-4-one?
The InChIKey is QKMRJWQWRVPEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-11-12(2)19-17(13(3)18(11)23)16(22)9-20(4,25-19)10-24-15-7-5-14(21)6-8-15/h5-8,23H,9-10,21H2,1-4H3.
What are the key properties of 2-[(4-aminophenoxy)methyl]-6-hydroxy-2,5,7,8-tetramethyl-3H-chromen-4-one?
2-[(4-aminophenoxy)methyl]-6-hydroxy-2,5,7,8-tetramethyl-3H-chromen-4-one has a molecular weight of 341.41 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminophenoxy)methyl]-6-hydroxy-2,5,7,8-tetramethyl-3H-chromen-4-one is sourced from PubChem (CID 10980763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).