2-(4-aminophenyl)-6-(2-fluoroethoxy)chromen-4-one

C17H14FNO3 — CID 44590883

IUPAC2-(4-aminophenyl)-6-(2-fluoroethoxy)chromen-4-one
SMILESNc1ccc(-c2cc(=O)c3cc(OCCF)ccc3o2)cc1
InChIInChI=1S/C17H14FNO3/c18-7-8-21-13-5-6-16-14(9-13)15(20)10-17(22-16)11-1-3-12(19)4-2-11/h1-6,9-10H,7-8,19H2
InChIKeyLMFUPZWVTRWGAW-UHFFFAOYSA-N
MW299.30 g/mol
LogP3.39
Rot. Bonds4

About 2-(4-aminophenyl)-6-(2-fluoroethoxy)chromen-4-one

2-(4-aminophenyl)-6-(2-fluoroethoxy)chromen-4-one (PubChem CID 44590883) has the molecular formula C17H14FNO3 and a molecular weight of 299.30 g/mol. Its IUPAC name is 2-(4-aminophenyl)-6-(2-fluoroethoxy)chromen-4-one.

Molecular Properties

Compound Name2-(4-aminophenyl)-6-(2-fluoroethoxy)chromen-4-one
PubChem CID44590883
Molecular FormulaC17H14FNO3
Molecular Weight299.30 g/mol
Exact Mass299.10
IUPAC Name2-(4-aminophenyl)-6-(2-fluoroethoxy)chromen-4-one
SMILESNc1ccc(-c2cc(=O)c3cc(OCCF)ccc3o2)cc1
InChIInChI=1S/C17H14FNO3/c18-7-8-21-13-5-6-16-14(9-13)15(20)10-17(22-16)11-1-3-12(19)4-2-11/h1-6,9-10H,7-8,19H2
InChIKeyLMFUPZWVTRWGAW-UHFFFAOYSA-N
XLogP3.39
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-3-methoxyphenyl)-4H-1-benzopyran-4-one
CID 4713
3-(4-Amino-2-methoxyphenyl)-2H-1-benzopyran-2-one
CID 736324
6-Aminoflavone
CID 16217320
2-(4-Amino-phenyl)-benzo[h]chromen-4-one
CID 11471732
6-methoxy-N-(4-methylphenyl)-4-oxochromene-3-carboxamide
CID 137651393
4'-Amino-6-hydroxyflavone
CID 125519
5-Amino-2-(4-aminophenyl)-6,8-difluoro-4H-1-benzopyran-4-one
CID 9817398
5-Amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-4H-1-benzopyran-4-one
CID 10267124
5-Amino-2-(4-aminophenyl)chromen-4-one
CID 10422310
5-Amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-(methoxymethyl)chromen-4-one
CID 10521804
5-Amino-2-(4-aminophenyl)-6-fluorochromen-4-one
CID 10683448
5-Amino-2-(4-aminophenyl)-8-fluorochromen-4-one
CID 10754491

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-6-(2-fluoroethoxy)chromen-4-one?
The IUPAC name of 2-(4-aminophenyl)-6-(2-fluoroethoxy)chromen-4-one (CID 44590883) is 2-(4-aminophenyl)-6-(2-fluoroethoxy)chromen-4-one.
What is the SMILES notation for 2-(4-aminophenyl)-6-(2-fluoroethoxy)chromen-4-one?
The canonical SMILES for 2-(4-aminophenyl)-6-(2-fluoroethoxy)chromen-4-one is Nc1ccc(-c2cc(=O)c3cc(OCCF)ccc3o2)cc1.
What is the InChIKey of 2-(4-aminophenyl)-6-(2-fluoroethoxy)chromen-4-one?
The InChIKey is LMFUPZWVTRWGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO3/c18-7-8-21-13-5-6-16-14(9-13)15(20)10-17(22-16)11-1-3-12(19)4-2-11/h1-6,9-10H,7-8,19H2.
What are the key properties of 2-(4-aminophenyl)-6-(2-fluoroethoxy)chromen-4-one?
2-(4-aminophenyl)-6-(2-fluoroethoxy)chromen-4-one has a molecular weight of 299.30 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-6-(2-fluoroethoxy)chromen-4-one is sourced from PubChem (CID 44590883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).