8-[(dimethylamino)methyl]-3-(2-fluorophenoxy)-7-hydroxy-2-methylchromen-4-one

C19H18FNO4 — CID 5412998

IUPAC8-[(dimethylamino)methyl]-3-(2-fluorophenoxy)-7-hydroxy-2-methylchromen-4-one
SMILESCc1oc2c(CN(C)C)c(O)ccc2c(=O)c1Oc1ccccc1F
InChIInChI=1S/C19H18FNO4/c1-11-18(25-16-7-5-4-6-14(16)20)17(23)12-8-9-15(22)13(10-21(2)3)19(12)24-11/h4-9,22H,10H2,1-3H3
InChIKeyFZBLWGJNAGYPIH-UHFFFAOYSA-N
MW343.35 g/mol
LogP3.80
Rot. Bonds4

About 8-[(dimethylamino)methyl]-3-(2-fluorophenoxy)-7-hydroxy-2-methylchromen-4-one

8-[(dimethylamino)methyl]-3-(2-fluorophenoxy)-7-hydroxy-2-methylchromen-4-one (PubChem CID 5412998) has the molecular formula C19H18FNO4 and a molecular weight of 343.35 g/mol. Its IUPAC name is 8-[(dimethylamino)methyl]-3-(2-fluorophenoxy)-7-hydroxy-2-methylchromen-4-one.

Molecular Properties

Compound Name8-[(dimethylamino)methyl]-3-(2-fluorophenoxy)-7-hydroxy-2-methylchromen-4-one
PubChem CID5412998
Molecular FormulaC19H18FNO4
Molecular Weight343.35 g/mol
Exact Mass343.12
IUPAC Name8-[(dimethylamino)methyl]-3-(2-fluorophenoxy)-7-hydroxy-2-methylchromen-4-one
SMILESCc1oc2c(CN(C)C)c(O)ccc2c(=O)c1Oc1ccccc1F
InChIInChI=1S/C19H18FNO4/c1-11-18(25-16-7-5-4-6-14(16)20)17(23)12-8-9-15(22)13(10-21(2)3)19(12)24-11/h4-9,22H,10H2,1-3H3
InChIKeyFZBLWGJNAGYPIH-UHFFFAOYSA-N
XLogP3.80
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-[(dimethylamino)methyl]-3-(2-fluorophenoxy)-7-hydroxy-2-methylchromen-4-one?
The IUPAC name of 8-[(dimethylamino)methyl]-3-(2-fluorophenoxy)-7-hydroxy-2-methylchromen-4-one (CID 5412998) is 8-[(dimethylamino)methyl]-3-(2-fluorophenoxy)-7-hydroxy-2-methylchromen-4-one.
What is the SMILES notation for 8-[(dimethylamino)methyl]-3-(2-fluorophenoxy)-7-hydroxy-2-methylchromen-4-one?
The canonical SMILES for 8-[(dimethylamino)methyl]-3-(2-fluorophenoxy)-7-hydroxy-2-methylchromen-4-one is Cc1oc2c(CN(C)C)c(O)ccc2c(=O)c1Oc1ccccc1F.
What is the InChIKey of 8-[(dimethylamino)methyl]-3-(2-fluorophenoxy)-7-hydroxy-2-methylchromen-4-one?
The InChIKey is FZBLWGJNAGYPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO4/c1-11-18(25-16-7-5-4-6-14(16)20)17(23)12-8-9-15(22)13(10-21(2)3)19(12)24-11/h4-9,22H,10H2,1-3H3.
What are the key properties of 8-[(dimethylamino)methyl]-3-(2-fluorophenoxy)-7-hydroxy-2-methylchromen-4-one?
8-[(dimethylamino)methyl]-3-(2-fluorophenoxy)-7-hydroxy-2-methylchromen-4-one has a molecular weight of 343.35 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(dimethylamino)methyl]-3-(2-fluorophenoxy)-7-hydroxy-2-methylchromen-4-one is sourced from PubChem (CID 5412998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).