2-[4-(dimethylamino)phenyl]-6-[2-(2-fluoroethoxy)ethoxy]chromen-4-one

C21H22FNO4 — CID 44590881

IUPAC2-[4-(dimethylamino)phenyl]-6-[2-(2-fluoroethoxy)ethoxy]chromen-4-one
SMILESCN(C)c1ccc(-c2cc(=O)c3cc(OCCOCCF)ccc3o2)cc1
InChIInChI=1S/C21H22FNO4/c1-23(2)16-5-3-15(4-6-16)21-14-19(24)18-13-17(7-8-20(18)27-21)26-12-11-25-10-9-22/h3-8,13-14H,9-12H2,1-2H3
InChIKeyXRLQFRHTRFJILQ-UHFFFAOYSA-N
MW371.41 g/mol
LogP3.89
Rot. Bonds8

About 2-[4-(dimethylamino)phenyl]-6-[2-(2-fluoroethoxy)ethoxy]chromen-4-one

2-[4-(dimethylamino)phenyl]-6-[2-(2-fluoroethoxy)ethoxy]chromen-4-one (PubChem CID 44590881) has the molecular formula C21H22FNO4 and a molecular weight of 371.41 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]-6-[2-(2-fluoroethoxy)ethoxy]chromen-4-one.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]-6-[2-(2-fluoroethoxy)ethoxy]chromen-4-one
PubChem CID44590881
Molecular FormulaC21H22FNO4
Molecular Weight371.41 g/mol
Exact Mass371.15
IUPAC Name2-[4-(dimethylamino)phenyl]-6-[2-(2-fluoroethoxy)ethoxy]chromen-4-one
SMILESCN(C)c1ccc(-c2cc(=O)c3cc(OCCOCCF)ccc3o2)cc1
InChIInChI=1S/C21H22FNO4/c1-23(2)16-5-3-15(4-6-16)21-14-19(24)18-13-17(7-8-20(18)27-21)26-12-11-25-10-9-22/h3-8,13-14H,9-12H2,1-2H3
InChIKeyXRLQFRHTRFJILQ-UHFFFAOYSA-N
XLogP3.89
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-[2-(dimethylamino)ethoxy]-2-phenylchromen-4-one
CID 14982949
2-(4-aminophenyl)-6-propoxychromen-4-one
CID 82046490
2-(4-butoxyphenyl)-6-methoxychromen-4-one
CID 132609984
2-[2-(dimethylamino)ethoxy]ethanol;2-[4-[2-[2-(dimethylamino)ethoxy]ethoxy]phenyl]chromen-4-one;methane
CID 161225151
7-[4-[benzyl(methyl)amino]butoxy]-2-[4-(dimethylamino)phenyl]chromen-4-one
CID 72697193
6-[6-[2-hydroxyethyl(methyl)amino]hexoxy]-2-phenylchromen-4-one
CID 14982977
6-(aminomethoxy)-2-phenylchromen-4-one
CID 174632980
6-(3-bromopropoxy)-2-phenylchromen-4-one
CID 139992556
N,N-bis[2-[2-[4-(4-oxochromen-2-yl)phenoxy]ethoxy]ethyl]methanesulfonamide
CID 54578900
6-(chloromethoxy)-2-phenylchromen-4-one
CID 174619447
6-(dimethylamino)-2-(3-methoxyphenyl)chromen-4-one
CID 23001746
tert-butyl N,N-bis[2-[2-[4-(4-oxochromen-2-yl)phenoxy]ethoxy]ethyl]carbamate
CID 54578221

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)phenyl]-6-[2-(2-fluoroethoxy)ethoxy]chromen-4-one?
The IUPAC name of 2-[4-(dimethylamino)phenyl]-6-[2-(2-fluoroethoxy)ethoxy]chromen-4-one (CID 44590881) is 2-[4-(dimethylamino)phenyl]-6-[2-(2-fluoroethoxy)ethoxy]chromen-4-one.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]-6-[2-(2-fluoroethoxy)ethoxy]chromen-4-one?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]-6-[2-(2-fluoroethoxy)ethoxy]chromen-4-one is CN(C)c1ccc(-c2cc(=O)c3cc(OCCOCCF)ccc3o2)cc1.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]-6-[2-(2-fluoroethoxy)ethoxy]chromen-4-one?
The InChIKey is XRLQFRHTRFJILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FNO4/c1-23(2)16-5-3-15(4-6-16)21-14-19(24)18-13-17(7-8-20(18)27-21)26-12-11-25-10-9-22/h3-8,13-14H,9-12H2,1-2H3.
What are the key properties of 2-[4-(dimethylamino)phenyl]-6-[2-(2-fluoroethoxy)ethoxy]chromen-4-one?
2-[4-(dimethylamino)phenyl]-6-[2-(2-fluoroethoxy)ethoxy]chromen-4-one has a molecular weight of 371.41 g/mol, XLogP of 3.89, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)phenyl]-6-[2-(2-fluoroethoxy)ethoxy]chromen-4-one is sourced from PubChem (CID 44590881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).