6-ethyl-4-[[(2-fluorophenyl)methyl-methylamino]methyl]-7-hydroxychromen-2-one

C20H20FNO3 — CID 6215544

IUPAC6-ethyl-4-[[(2-fluorophenyl)methyl-methylamino]methyl]-7-hydroxychromen-2-one
SMILESCCc1cc2c(CN(C)Cc3ccccc3F)cc(=O)oc2cc1O
InChIInChI=1S/C20H20FNO3/c1-3-13-8-16-15(9-20(24)25-19(16)10-18(13)23)12-22(2)11-14-6-4-5-7-17(14)21/h4-10,23H,3,11-12H2,1-2H3
InChIKeyZDAOTVRSBOLNNA-UHFFFAOYSA-N
MW341.38 g/mol
LogP3.83
Rot. Bonds5

About 6-ethyl-4-[[(2-fluorophenyl)methyl-methylamino]methyl]-7-hydroxychromen-2-one

6-ethyl-4-[[(2-fluorophenyl)methyl-methylamino]methyl]-7-hydroxychromen-2-one (PubChem CID 6215544) has the molecular formula C20H20FNO3 and a molecular weight of 341.38 g/mol. Its IUPAC name is 6-ethyl-4-[[(2-fluorophenyl)methyl-methylamino]methyl]-7-hydroxychromen-2-one.

Molecular Properties

Compound Name6-ethyl-4-[[(2-fluorophenyl)methyl-methylamino]methyl]-7-hydroxychromen-2-one
PubChem CID6215544
Molecular FormulaC20H20FNO3
Molecular Weight341.38 g/mol
Exact Mass341.14
IUPAC Name6-ethyl-4-[[(2-fluorophenyl)methyl-methylamino]methyl]-7-hydroxychromen-2-one
SMILESCCc1cc2c(CN(C)Cc3ccccc3F)cc(=O)oc2cc1O
InChIInChI=1S/C20H20FNO3/c1-3-13-8-16-15(9-20(24)25-19(16)10-18(13)23)12-22(2)11-14-6-4-5-7-17(14)21/h4-10,23H,3,11-12H2,1-2H3
InChIKeyZDAOTVRSBOLNNA-UHFFFAOYSA-N
XLogP3.83
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-[[(2-fluorophenyl)methyl-methylamino]methyl]-7-hydroxychromen-2-one?
The IUPAC name of 6-ethyl-4-[[(2-fluorophenyl)methyl-methylamino]methyl]-7-hydroxychromen-2-one (CID 6215544) is 6-ethyl-4-[[(2-fluorophenyl)methyl-methylamino]methyl]-7-hydroxychromen-2-one.
What is the SMILES notation for 6-ethyl-4-[[(2-fluorophenyl)methyl-methylamino]methyl]-7-hydroxychromen-2-one?
The canonical SMILES for 6-ethyl-4-[[(2-fluorophenyl)methyl-methylamino]methyl]-7-hydroxychromen-2-one is CCc1cc2c(CN(C)Cc3ccccc3F)cc(=O)oc2cc1O.
What is the InChIKey of 6-ethyl-4-[[(2-fluorophenyl)methyl-methylamino]methyl]-7-hydroxychromen-2-one?
The InChIKey is ZDAOTVRSBOLNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO3/c1-3-13-8-16-15(9-20(24)25-19(16)10-18(13)23)12-22(2)11-14-6-4-5-7-17(14)21/h4-10,23H,3,11-12H2,1-2H3.
What are the key properties of 6-ethyl-4-[[(2-fluorophenyl)methyl-methylamino]methyl]-7-hydroxychromen-2-one?
6-ethyl-4-[[(2-fluorophenyl)methyl-methylamino]methyl]-7-hydroxychromen-2-one has a molecular weight of 341.38 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-[[(2-fluorophenyl)methyl-methylamino]methyl]-7-hydroxychromen-2-one is sourced from PubChem (CID 6215544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).